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BDBM50216556 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE::3-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide::CHEMBL398380

SMILES: Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O

InChI Key: InChIKey=PMRPPULYFDNTHJ-XZOQPEGZSA-N

Data: 9 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50216556   
Target/Host
(Institution)
LigandTarget/Host
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50216556
PNG
(3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)B...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
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0.670n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50216556
PNG
(3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)B...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
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0.670n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50216556
PNG
(3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)B...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human tPA


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50216556
PNG
(3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)B...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
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8.46E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50216556
PNG
(3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)B...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
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>1.20E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50216556
PNG
(3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)B...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
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>1.40E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human urokinase


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50216556
PNG
(3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)B...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50216556
PNG
(3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)B...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
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>1.60E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50216556
PNG
(3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)B...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
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>2.20E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair