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BDBM50214983 CHEMBL391805::N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE::trans-N-(2-(5-chloro-1H-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide

SMILES: CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=ARPFWVKYXJZULB-IAGOWNOFSA-N

Data: 4 IC50

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 4 hits for monomerid = 50214983   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50214983
PNG
(CHEMBL391805 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17-/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 2a after 10 seconds


Bioorg Med Chem Lett 17: 4683-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.068
BindingDB Entry DOI: 10.7270/Q2183660
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50214983
PNG
(CHEMBL391805 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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))
BDBM50214983
PNG
(CHEMBL391805 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 782-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.037
BindingDB Entry DOI: 10.7270/Q20P10WJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50214983
PNG
(CHEMBL391805 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17-/m1/s1
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
CHEMBL
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PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a after 10 seconds


Bioorg Med Chem Lett 17: 4683-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.068
BindingDB Entry DOI: 10.7270/Q2183660
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)