BindingDB logo
myBDB logout

7 similar compounds to monomer 16114

Wt: 443.3
BDBM15341
Wt: 403.3
BDBM16115
Wt: 403.3
BDBM16116
Wt: 425.3
BDBM16117
Wt: 415.3
BDBM16122
Wt: 415.3
BDBM16123
Wt: 415.3
BDBM16124

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 15341,16115,16116,16117,16122,16123,16124   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM15341
PNG
(3-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)
Show SMILES OC(=O)c1sccc1C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H10F5NO4S/c20-13-7-10(9-2-1-3-11(6-9)29-19(22,23)24)8-14(21)15(13)25-17(26)12-4-5-30-16(12)18(27)28/h1-8H,(H,25,26)(H,27,28)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 2n/an/an/an/a8.030



4SC AG



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 49: 1239-47 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate Dehydrogenase (DHODH)


(Homo sapiens (human))
BDBM16115
PNG
(3-{[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoy...)
Show SMILES CCOc1cccc(c1)-c1cc(F)c(NC(=O)c2ccsc2C(O)=O)c(F)c1
Show InChI InChI=1S/C20H15F2NO4S/c1-2-27-13-5-3-4-11(8-13)12-9-15(21)17(16(22)10-12)23-19(24)14-6-7-28-18(14)20(25)26/h3-10H,2H2,1H3,(H,23,24)(H,25,26)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3n/an/an/an/a8.025



4SC AG



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Bioorg Med Chem Lett 16: 267-70 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Homo sapiens (human))
BDBM16116
PNG
(3-{[4-(2-ethoxyphenyl)-2,6-difluorophenyl]carbamoy...)
Show SMILES CCOc1ccccc1-c1cc(F)c(NC(=O)c2ccsc2C(O)=O)c(F)c1
Show InChI InChI=1S/C20H15F2NO4S/c1-2-27-16-6-4-3-5-12(16)11-9-14(21)17(15(22)10-11)23-19(24)13-7-8-28-18(13)20(25)26/h3-10H,2H2,1H3,(H,23,24)(H,25,26)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9n/an/an/an/a8.025



4SC AG



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Bioorg Med Chem Lett 16: 267-70 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Homo sapiens (human))
BDBM16124
PNG
(4-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}t...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)c2csc(C(O)=O)c2C(O)=O)c(F)c1
Show InChI InChI=1S/C20H14FNO6S/c1-28-12-4-2-3-10(7-12)11-5-6-15(14(21)8-11)22-18(23)13-9-29-17(20(26)27)16(13)19(24)25/h2-9H,1H3,(H,22,23)(H,24,25)(H,26,27)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+3n/an/an/an/a8.025



4SC AG



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Bioorg Med Chem Lett 16: 267-70 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Homo sapiens (human))
BDBM16122
PNG
(3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}t...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)c2c(csc2C(O)=O)C(O)=O)c(F)c1
Show InChI InChI=1S/C20H14FNO6S/c1-28-12-4-2-3-10(7-12)11-5-6-15(14(21)8-11)22-18(23)16-13(19(24)25)9-29-17(16)20(26)27/h2-9H,1H3,(H,22,23)(H,24,25)(H,26,27)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+3n/an/an/an/a8.025



4SC AG



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Bioorg Med Chem Lett 16: 267-70 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Homo sapiens (human))
BDBM16123
PNG
(3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}t...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)c2cc(sc2C(O)=O)C(O)=O)c(F)c1
Show InChI InChI=1S/C20H14FNO6S/c1-28-12-4-2-3-10(7-12)11-5-6-15(14(21)8-11)22-18(23)13-9-16(19(24)25)29-17(13)20(26)27/h2-9H,1H3,(H,22,23)(H,24,25)(H,26,27)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+3n/an/an/an/a8.025



4SC AG



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Bioorg Med Chem Lett 16: 267-70 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Homo sapiens (human))
BDBM16117
PNG
(3-{[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]...)
Show SMILES COc1ccccc1-c1c(F)c(F)c(NC(=O)c2ccsc2C(O)=O)c(F)c1F |(1.02,8.12,;-.07,7.03,;.7,5.69,;2.24,5.69,;3.01,4.36,;2.24,3.03,;.7,3.03,;-.07,4.36,;-1.61,4.36,;-2.38,5.69,;-1.61,7.03,;-3.92,5.69,;-4.69,7.03,;-4.69,4.36,;-6.23,4.36,;-7,3.03,;-6.23,1.69,;-8.54,3.03,;-9.65,1.96,;-11.01,2.69,;-10.73,4.21,;-9.21,4.41,;-8.48,5.77,;-9.29,7.08,;-6.94,5.82,;-3.92,3.03,;-4.69,1.69,;-2.38,3.03,;-1.61,1.69,)|
Show InChI InChI=1S/C19H11F4NO4S/c1-28-10-5-3-2-4-8(10)11-12(20)14(22)16(15(23)13(11)21)24-18(25)9-6-7-29-17(9)19(26)27/h2-7H,1H3,(H,24,25)(H,26,27)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1n/an/an/an/a8.025



4SC AG



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Bioorg Med Chem Lett 16: 267-70 (2006)

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