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BDBM50337469 2-(2-(5-chloro-4-(2-(5-chloro-2-methoxybenzylamino)-2-oxoethyl)-3-oxo-3,4-dihydropyrazin-2-ylamino)ethyl)pyridine 1-oxide::CHEMBL1682764

SMILES: COc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCCc2cccc[n+]2[O-])c1=O

InChI Key: InChIKey=SQXKUYCIGDAPCU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50337469   
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))		BDBM50337469
PNG
(2-(2-(5-chloro-4-(2-(5-chloro-2-methoxybenzylamino...)
Show SMILES COc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCCc2cccc[n+]2[O-])c1=O
Show InChI InChI=1S/C21H21Cl2N5O4/c1-32-17-6-5-15(22)10-14(17)11-25-19(29)13-27-18(23)12-26-20(21(27)30)24-8-7-16-4-2-3-9-28(16)31/h2-6,9-10,12H,7-8,11,13H2,1H3,(H,24,26)(H,25,29)
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Similars
Article
PubMed
 1.80n/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