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BDBM50124087 CHEMBL101563::N-(1H-Benzoimidazol-5-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide

SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1

InChI Key: InChIKey=BDCJAGQAAOPKLF-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50124087   
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))
BDBM50124087
PNG
(CHEMBL101563 | N-(1H-Benzoimidazol-5-ylmethyl)-2-(...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C23H24N6O2/c1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)14-21(30)25-13-18-7-8-19-20(11-18)28-15-27-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,26)(H,25,30)(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Thrombin


Bioorg Med Chem Lett 13: 795-8 (2003)


BindingDB Entry DOI: 10.7270/Q29C6WSJ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50124087
PNG
(CHEMBL101563 | N-(1H-Benzoimidazol-5-ylmethyl)-2-(...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C23H24N6O2/c1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)14-21(30)25-13-18-7-8-19-20(11-18)28-15-27-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,26)(H,25,30)(H,27,28)
PDB

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
17n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2925-30 (2002)


BindingDB Entry DOI: 10.7270/Q27946WJ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50124087
PNG
(CHEMBL101563 | N-(1H-Benzoimidazol-5-ylmethyl)-2-(...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C23H24N6O2/c1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)14-21(30)25-13-18-7-8-19-20(11-18)28-15-27-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,26)(H,25,30)(H,27,28)
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Trypsin


Bioorg Med Chem Lett 13: 795-8 (2003)


BindingDB Entry DOI: 10.7270/Q29C6WSJ
More data for this
Ligand-Target Pair