BDBM50337462 CHEMBL1682757::N-(5-methyl-2-(2,2,2-trifluoroethoxy)benzyl)-2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamide

SMILES: Cc1ccc(OCC(F)(F)F)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1

InChI Key: InChIKey=BFPAQBUQTXJEIL-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 = 50337462   

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))	BDBM50337462 (CHEMBL1682757 | N-(5-methyl-2-(2,2,2-trifluoroetho...) Show SMILES Cc1ccc(OCC(F)(F)F)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1 Show InChI InChI=1S/C24H26F3N5O3/c1-16-6-7-20(35-15-24(25,26)27)18(11-16)13-30-21(33)14-32-17(2)12-31-22(23(32)34)29-10-8-19-5-3-4-9-28-19/h3-7,9,11-12H,8,10,13-15H2,1-2H3,(H,29,31)(H,30,33)	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