BindingDB logo
myBDB logout

PDB code 2CNF

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13473
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-(1,3...)
Show SMILES O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
Show InChI InChI=1/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)/t20-,22-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 240n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13473
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-(1,3...)
Show SMILES O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
Show InChI InChI=1/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)/t20-,22-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 270n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Similar Ligands in BindingDB*

Found 38 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14289
PNG
(5-{4-[(2S)-2-(1,3-benzothiazol-2-ylamino)-2-[5-(tr...)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1/C26H20F3N5O3S2/c27-26(28,29)16-9-10-17-19(12-16)31-24(30-17)20(33-25-32-18-3-1-2-4-21(18)38-25)11-14-5-7-15(8-6-14)22-13-23(35)34-39(22,36)37/h1-10,12,20,22H,11,13H2,(H,30,31)(H,32,33)(H,34,35)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 150n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14292
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-(1,3-benz...)
Show SMILES Fc1cc(C[C@H](Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
Show InChI InChI=1/C25H20FN5O3S2/c26-16-11-14(9-10-15(16)22-13-23(32)31-36(22,33)34)12-20(24-27-17-5-1-2-6-18(17)28-24)30-25-29-19-7-3-4-8-21(19)35-25/h1-11,20,22H,12-13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 230n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14293
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-(1,3-benz...)
Show SMILES Clc1cc(C[C@H](Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
Show InChI InChI=1/C25H20ClN5O3S2/c26-16-11-14(9-10-15(16)22-13-23(32)31-36(22,33)34)12-20(24-27-17-5-1-2-6-18(17)28-24)30-25-29-19-7-3-4-8-21(19)35-25/h1-11,20,22H,12-13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 280n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13483
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-{[6-...)
Show SMILES FC(F)(F)c1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
Show InChI InChI=1/C26H20F3N5O3S2/c27-26(28,29)16-9-10-19-21(12-16)38-25(32-19)33-20(24-30-17-3-1-2-4-18(17)31-24)11-14-5-7-15(8-6-14)22-13-23(35)34-39(22,36)37/h1-10,12,20,22H,11,13H2,(H,30,31)(H,32,33)(H,34,35)/t20-,22-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 330n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14273
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-{[6-(trif...)
Show SMILES FC(F)(F)c1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
Show InChI InChI=1/C26H20F3N5O3S2/c27-26(28,29)16-9-10-19-21(12-16)38-25(32-19)33-20(24-30-17-3-1-2-4-18(17)31-24)11-14-5-7-15(8-6-14)22-13-23(35)34-39(22,36)37/h1-10,12,20,22H,11,13H2,(H,30,31)(H,32,33)(H,34,35)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 330n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14282
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-metho...)
Show SMILES COc1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
Show InChI InChI=1/C26H23N5O4S2/c1-35-17-10-11-20-22(13-17)36-26(29-20)30-21(25-27-18-4-2-3-5-19(18)28-25)12-15-6-8-16(9-7-15)23-14-24(32)31-37(23,33)34/h2-11,13,21,23H,12,14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-,23?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 350n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13484
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-...)
Show SMILES COc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
Show InChI InChI=1/C26H23N5O4S2/c1-35-17-10-11-20-22(13-17)36-26(29-20)30-21(25-27-18-4-2-3-5-19(18)28-25)12-15-6-8-16(9-7-15)23-14-24(32)31-37(23,33)34/h2-11,13,21,23H,12,14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-,23-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 350n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14295
PNG
(5-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-(1,3-benzoth...)
Show SMILES O=C1CC(c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2C#N)S(=O)(=O)N1 |r|
Show InChI InChI=1/C26H20N6O3S2/c27-14-16-11-15(9-10-17(16)23-13-24(33)32-37(23,34)35)12-21(25-28-18-5-1-2-6-19(18)29-25)31-26-30-20-7-3-4-8-22(20)36-26/h1-11,21,23H,12-13H2,(H,28,29)(H,30,31)(H,32,33)/t21-,23?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 400n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14290
PNG
(5-{4-[(2S)-2-(1,3-benzothiazol-2-ylamino)-2-(5-chl...)
Show SMILES Clc1ccc2nc([nH]c2c1)[C@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1/C25H20ClN5O3S2/c26-16-9-10-17-19(12-16)28-24(27-17)20(30-25-29-18-3-1-2-4-21(18)35-25)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 410n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14277
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(5-fluor...)
Show SMILES Fc1ccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
Show InChI InChI=1/C25H20FN5O3S2/c26-16-9-10-21-19(12-16)29-25(35-21)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 420n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13480
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(5-...)
Show SMILES Fc1ccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
Show InChI InChI=1/C25H20FN5O3S2/c26-16-9-10-21-19(12-16)29-25(35-21)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 420n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14279
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-chlor...)
Show SMILES Clc1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
Show InChI InChI=1/C25H20ClN5O3S2/c26-16-9-10-19-21(12-16)35-25(29-19)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 440n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14296
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-(1,3-benz...)
Show SMILES Cc1cc(C[C@H](Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
Show InChI InChI=1/C26H23N5O3S2/c1-15-12-16(10-11-17(15)23-14-24(32)31-36(23,33)34)13-21(25-27-18-6-2-3-7-19(18)28-25)30-26-29-20-8-4-5-9-22(20)35-26/h2-12,21,23H,13-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-,23?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 460n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14284
PNG
(2-{[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-[4-(1,1,3-t...)
Show SMILES O=C1CC(c2ccc(C[C@H](Nc3nc4ccc(cc4s3)C#N)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
Show InChI InChI=1/C26H20N6O3S2/c27-14-16-7-10-20-22(12-16)36-26(30-20)31-21(25-28-18-3-1-2-4-19(18)29-25)11-15-5-8-17(9-6-15)23-13-24(33)32-37(23,34)35/h1-10,12,21,23H,11,13H2,(H,28,29)(H,30,31)(H,32,33)/t21-,23?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 470n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14291
PNG
(2-[(1S)-1-(1,3-benzothiazol-2-ylamino)-2-[4-(1,1,3...)
Show SMILES O=C1CC(c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccc(cc4[nH]3)C#N)cc2)S(=O)(=O)N1 |r|
Show InChI InChI=1/C26H20N6O3S2/c27-14-16-7-10-18-20(12-16)29-25(28-18)21(31-26-30-19-3-1-2-4-22(19)36-26)11-15-5-8-17(9-6-15)23-13-24(33)32-37(23,34)35/h1-10,12,21,23H,11,13H2,(H,28,29)(H,30,31)(H,32,33)/t21-,23?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 470n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14270
PNG
((R/S)-isothiazolidinone | 5-{4-[(2S)-2-(1H-1,3-ben...)
Show SMILES O=C1CC(c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
Show InChI InChI=1/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 480n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14276
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-fluor...)
Show SMILES Fc1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
Show InChI InChI=1/C25H20FN5O3S2/c26-16-9-10-19-21(12-16)35-25(29-19)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 490n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13485
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-...)
Show SMILES Brc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
Show InChI InChI=1/C25H20BrN5O3S2/c26-16-9-10-19-21(12-16)35-25(29-19)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 500n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14286
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-bromo...)
Show SMILES Brc1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
Show InChI InChI=1/C25H20BrN5O3S2/c26-16-9-10-19-21(12-16)35-25(29-19)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 500n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13476
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(4-...)
Show SMILES COc1cccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
Show InChI InChI=1/C26H23N5O4S2/c1-35-20-7-4-8-21-24(20)30-26(36-21)29-19(25-27-17-5-2-3-6-18(17)28-25)13-15-9-11-16(12-10-15)22-14-23(32)31-37(22,33)34/h2-12,19,22H,13-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t19-,22-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 550n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14283
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(4-metho...)
Show SMILES COc1cccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
Show InChI InChI=1/C26H23N5O4S2/c1-35-20-7-4-8-21-24(20)30-26(36-21)29-19(25-27-17-5-2-3-6-18(17)28-25)13-15-9-11-16(12-10-15)22-14-23(32)31-37(22,33)34/h2-12,19,22H,13-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t19-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 550n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14287
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(5-bromo...)
Show SMILES Brc1ccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
Show InChI InChI=1/C25H20BrN5O3S2/c26-16-9-10-21-19(12-16)29-25(35-21)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 620n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14278
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(4-fluor...)
Show SMILES Fc1cccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
Show InChI InChI=1/C25H20FN5O3S2/c26-16-4-3-7-20-23(16)30-25(35-20)29-19(24-27-17-5-1-2-6-18(17)28-24)12-14-8-10-15(11-9-14)21-13-22(32)31-36(21,33)34/h1-11,19,21H,12-13H2,(H,27,28)(H,29,30)(H,31,32)/t19-,21?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 660n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13477
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-{[4-...)
Show SMILES FC(F)(F)c1cccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
Show InChI InChI=1/C26H20F3N5O3S2/c27-26(28,29)16-4-3-7-20-23(16)33-25(38-20)32-19(24-30-17-5-1-2-6-18(17)31-24)12-14-8-10-15(11-9-14)21-13-22(35)34-39(21,36)37/h1-11,19,21H,12-13H2,(H,30,31)(H,32,33)(H,34,35)/t19-,21-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 740n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14275
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-{[4-(trif...)
Show SMILES FC(F)(F)c1cccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
Show InChI InChI=1/C26H20F3N5O3S2/c27-26(28,29)16-4-3-7-20-23(16)33-25(38-20)32-19(24-30-17-5-1-2-6-18(17)31-24)12-14-8-10-15(11-9-14)21-13-22(35)34-39(21,36)37/h1-11,19,21H,12-13H2,(H,30,31)(H,32,33)(H,34,35)/t19-,21?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 740n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13486
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-...)
Show SMILES Clc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
Show InChI InChI=1/C25H20ClN5O3S2/c26-16-9-10-19-21(12-16)35-25(29-19)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 840n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13481
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(5-...)
Show SMILES Clc1ccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
Show InChI InChI=1/C25H20ClN5O3S2/c26-16-9-10-21-19(12-16)29-25(35-21)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 970n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14280
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(5-chlor...)
Show SMILES Clc1ccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
Show InChI InChI=1/C25H20ClN5O3S2/c26-16-9-10-21-19(12-16)29-25(35-21)30-20(24-27-17-3-1-2-4-18(17)28-24)11-14-5-7-15(8-6-14)22-13-23(32)31-36(22,33)34/h1-10,12,20,22H,11,13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 970n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13487
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-...)
Show SMILES Cc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
Show InChI InChI=1/C26H23N5O3S2/c1-15-6-11-20-22(12-15)35-26(29-20)30-21(25-27-18-4-2-3-5-19(18)28-25)13-16-7-9-17(10-8-16)23-14-24(32)31-36(23,33)34/h2-12,21,23H,13-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-,23-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14285
PNG
(2-{[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-[4-(1,1,3-t...)
Show SMILES O=C1CC(c2ccc(C[C@H](Nc3nc4cc(ccc4s3)C#N)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
Show InChI InChI=1/C26H20N6O3S2/c27-14-16-7-10-22-20(12-16)30-26(36-22)31-21(25-28-18-3-1-2-4-19(18)29-25)11-15-5-8-17(9-6-15)23-13-24(33)32-37(23,34)35/h1-10,12,21,23H,11,13H2,(H,28,29)(H,30,31)(H,32,33)/t21-,23?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13478
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(4-...)
Show SMILES Brc1cccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
Show InChI InChI=1/C25H20BrN5O3S2/c26-16-4-3-7-20-23(16)30-25(35-20)29-19(24-27-17-5-1-2-6-18(17)28-24)12-14-8-10-15(11-9-14)21-13-22(32)31-36(21,33)34/h1-11,19,21H,12-13H2,(H,27,28)(H,29,30)(H,31,32)/t19-,21-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14288
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(4-bromo...)
Show SMILES Brc1cccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
Show InChI InChI=1/C25H20BrN5O3S2/c26-16-4-3-7-20-23(16)30-25(35-20)29-19(24-27-17-5-1-2-6-18(17)28-24)12-14-8-10-15(11-9-14)21-13-22(32)31-36(21,33)34/h1-11,19,21H,12-13H2,(H,27,28)(H,29,30)(H,31,32)/t19-,21?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13482
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-{[5-...)
Show SMILES FC(F)(F)c1ccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
Show InChI InChI=1/C26H20F3N5O3S2/c27-26(28,29)16-9-10-21-19(12-16)32-25(38-21)33-20(24-30-17-3-1-2-4-18(17)31-24)11-14-5-7-15(8-6-14)22-13-23(35)34-39(22,36)37/h1-10,12,20,22H,11,13H2,(H,30,31)(H,32,33)(H,34,35)/t20-,22-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.30E+3n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14274
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-{[5-(trif...)
Show SMILES FC(F)(F)c1ccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
Show InChI InChI=1/C26H20F3N5O3S2/c27-26(28,29)16-9-10-21-19(12-16)32-25(38-21)33-20(24-30-17-3-1-2-4-18(17)31-24)11-14-5-7-15(8-6-14)22-13-23(35)34-39(22,36)37/h1-10,12,20,22H,11,13H2,(H,30,31)(H,32,33)(H,34,35)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.30E+3n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14294
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-(1,3-benz...)
Show SMILES Brc1cc(C[C@H](Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
Show InChI InChI=1/C25H20BrN5O3S2/c26-16-11-14(9-10-15(16)22-13-23(32)31-36(22,33)34)12-20(24-27-17-5-1-2-6-18(17)28-24)30-25-29-19-7-3-4-8-21(19)35-25/h1-11,20,22H,12-13H2,(H,27,28)(H,29,30)(H,31,32)/t20-,22?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.60E+3n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM13479
PNG
((5S)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(6-...)
Show SMILES Fc1cc(Cl)cc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
Show InChI InChI=1/C25H19ClFN5O3S2/c26-15-10-16(27)23-20(11-15)36-25(31-23)30-19(24-28-17-3-1-2-4-18(17)29-24)9-13-5-7-14(8-6-13)21-12-22(33)32-37(21,34)35/h1-8,10-11,19,21H,9,12H2,(H,28,29)(H,30,31)(H,32,33)/t19-,21-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.80E+3n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14281
PNG
(5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-[(4-chlor...)
Show SMILES Clc1cccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
Show InChI InChI=1/C25H20ClN5O3S2/c26-16-4-3-7-20-23(16)30-25(35-20)29-19(24-27-17-5-1-2-6-18(17)28-24)12-14-8-10-15(11-9-14)21-13-22(32)31-36(21,33)34/h1-11,19,21H,12-13H2,(H,27,28)(H,29,30)(H,31,32)/t19-,21?/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.40E+3n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)

  (298/298 = 100%)
(Homo sapiens (human))
BDBM14271
PNG
((5R)-5-{4-[(2S)-2-(1H-1,3-benzodiazol-2-yl)-2-(1,3...)
Show SMILES O=C1C[C@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
Show InChI InChI=1/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)/t20-,22+/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output