BDBM50337471 2-(6-chloro-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)-N-(2-cyano-5-methoxybenzyl)acetamide::CHEMBL1682766

SMILES: COc1ccc(C#N)c(CNC(=O)Cn2c(Cl)cnc(NCCc3ccccn3)c2=O)c1

InChI Key: InChIKey=LNXXDUCQSUIZRL-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50337471   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50337471 (2-(6-chloro-2-oxo-3-(2-(pyridin-2-yl)ethylamino)py...) Show SMILES COc1ccc(C#N)c(CNC(=O)Cn2c(Cl)cnc(NCCc3ccccn3)c2=O)c1 Show InChI InChI=1S/C22H21ClN6O3/c1-32-18-6-5-15(11-24)16(10-18)12-27-20(30)14-29-19(23)13-28-21(22(29)31)26-9-7-17-4-2-3-8-25-17/h2-6,8,10,13H,7,9,12,14H2,1H3,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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