BindingDB logo
myBDB logout

PDB code 2OK1

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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
Mitogen-activated protein kinase 10

  (363/363 = 100%)
(Homo sapiens (human))
BDBM15621
PNG
(N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H...)
Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
DrugBank
PDB
Article
PubMed
550 -36.3n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


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

Similar Ligands in BindingDB*

Found 10 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
Mitogen-activated protein kinase 10

  (363/363 = 100%)
(Homo sapiens (human))
BDBM15625
PNG
(4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-[(3,4-dif...)
Show SMILES Fc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1F
Show InChI InChI=1S/C21H15ClF2N4O/c22-15-3-1-2-13(7-15)16-11-27-28-20(16)14-8-19(25-10-14)21(29)26-9-12-4-5-17(23)18(24)6-12/h1-8,10-11,25H,9H2,(H,26,29)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
790 -35.4n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10

  (363/363 = 100%)
(Homo sapiens (human))
BDBM15626
PNG
(4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-[(4-metho...)
Show SMILES COc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C22H19ClN4O2/c1-29-18-7-5-14(6-8-18)11-25-22(28)20-10-16(12-24-20)21-19(13-26-27-21)15-3-2-4-17(23)9-15/h2-10,12-13,24H,11H2,1H3,(H,25,28)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
840 -35.3n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10

  (363/363 = 100%)
(Homo sapiens (human))
BDBM15616
PNG
(4-(3-chlorophenyl)-3-[5-(pyrrolidin-1-ylcarbonyl)-...)
Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H17ClN4O/c19-14-5-3-4-12(8-14)15-11-21-22-17(15)13-9-16(20-10-13)18(24)23-6-1-2-7-23/h3-5,8-11,20H,1-2,6-7H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.80E+3 -33.3n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10

  (363/363 = 100%)
(Homo sapiens (human))
BDBM15638
PNG
(4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(4-chl...)
Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H18Cl2N4O2/c23-16-6-4-13(5-7-16)20(12-29)27-22(30)19-9-15(10-25-19)21-18(11-26-28-21)14-2-1-3-17(24)8-14/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.50E+3 -32.5n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10

  (363/363 = 100%)
(Homo sapiens (human))
BDBM15634
PNG
((2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H...)
Show SMILES NC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1/C22H18ClN5O2/c23-16-8-4-7-14(9-16)17-12-26-28-19(17)15-10-18(25-11-15)22(30)27-20(21(24)29)13-5-2-1-3-6-13/h1-12,20,25H,(H2,24,29)(H,26,28)(H,27,30)/t20-/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.30E+3 -31.8n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10

  (363/363 = 100%)
(Homo sapiens (human))
BDBM15643
PNG
(4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(3,5-d...)
Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1/C22H17Cl3N4O2/c23-15-3-1-2-12(4-15)18-10-27-29-21(18)14-7-19(26-9-14)22(31)28-20(11-30)13-5-16(24)8-17(25)6-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.40E+3 -31.7n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10

  (363/363 = 100%)
(Homo sapiens (human))
BDBM15635
PNG
((2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H...)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1/C23H20ClN5O2/c1-25-23(31)21(14-6-3-2-4-7-14)28-22(30)19-11-16(12-26-19)20-18(13-27-29-20)15-8-5-9-17(24)10-15/h2-13,21,26H,1H3,(H,25,31)(H,27,29)(H,28,30)/t21-/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.90E+3 -31.4n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10

  (363/363 = 100%)
(Homo sapiens (human))
BDBM15624
PNG
(N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-...)
Show SMILES CN(Cc1ccccc1)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H19ClN4O/c1-27(14-15-6-3-2-4-7-15)22(28)20-11-17(12-24-20)21-19(13-25-26-21)16-8-5-9-18(23)10-16/h2-13,24H,14H2,1H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3>-31.3n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10

  (363/363 = 100%)
(Homo sapiens (human))
BDBM15615
PNG
(4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-ethyl-N-m...)
Show SMILES CCN(C)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C17H17ClN4O/c1-3-22(2)17(23)15-8-12(9-19-15)16-14(10-20-21-16)11-5-4-6-13(18)7-11/h4-10,19H,3H2,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3>-31.3n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10

  (363/363 = 100%)
(Homo sapiens (human))
BDBM15617
PNG
(4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrol-2...)
Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H17ClN4O2/c19-14-3-1-2-12(8-14)15-11-21-22-17(15)13-9-16(20-10-13)18(24)23-4-6-25-7-5-23/h1-3,8-11,20H,4-7H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3>-31.3n/an/an/an/an/a7.530



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


Citation and Details
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

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