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BDBM50337463 (+/-)-N-(5-chloro-2-methoxybenzyl)-2-(6-methyl-2-oxo-3-(2-(piperidin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamide::CHEMBL1682758

SMILES: COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCC2CCCCN2)c1=O

InChI Key: InChIKey=YWBPBWLMDWEHQT-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50337463   
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))		BDBM50337463
PNG
((+/-)-N-(5-chloro-2-methoxybenzyl)-2-(6-methyl-2-o...)
Show SMILES COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCC2CCCCN2)c1=O
Show InChI InChI=1S/C22H30ClN5O3/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/h6-7,11-12,18,24H,3-5,8-10,13-14H2,1-2H3,(H,25,27)(H,26,29)
PDB

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UniChem

Similars
Article
PubMed
 4.80n/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