BDBM50337465 (+/-)-N-(2-cyano-5-methoxybenzyl)-2-(6-methyl-2-oxo-3-(2-(piperidin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamide::CHEMBL1682760

SMILES: COc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCCC3CCCCN3)c2=O)c1

InChI Key: InChIKey=KXXGEMMFTCAYTQ-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 = 50337465   

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))	BDBM50337465 ((+/-)-N-(2-cyano-5-methoxybenzyl)-2-(6-methyl-2-ox...) Show SMILES COc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCCC3CCCCN3)c2=O)c1 Show InChI InChI=1S/C23H30N6O3/c1-16-13-28-22(26-10-8-19-5-3-4-9-25-19)23(31)29(16)15-21(30)27-14-18-11-20(32-2)7-6-17(18)12-24/h6-7,11,13,19,25H,3-5,8-10,14-15H2,1-2H3,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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