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BDBM50337456 CHEMBL1682695::N-(5-chloro-2-methoxybenzyl)-2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamide

SMILES: COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O

InChI Key: InChIKey=UULSIAGKVPYVIH-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50337456   
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
Prothrombin


(Homo sapiens (Human))		BDBM50337456
PNG
(CHEMBL1682695 | N-(5-chloro-2-methoxybenzyl)-2-(6-...)
Show SMILES COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O
Show InChI InChI=1S/C22H24ClN5O3/c1-15-12-27-21(25-10-8-18-5-3-4-9-24-18)22(30)28(15)14-20(29)26-13-16-11-17(23)6-7-19(16)31-2/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H,25,27)(H,26,29)
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Article
PubMed
 2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of thrombin

Bioorg Med Chem Lett 21: 1532-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.108
BindingDB Entry DOI: 10.7270/Q2ZS2WS2
More data for this
Ligand-Target Pair