BDBM50147808 2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(2-[1,2,4]triazol-1-yl-benzyl)-acetamide::CHEMBL101588

SMILES: FC(F)(CNc1nccn(CC(=O)NCc2ccccc2-n2cncn2)c1=O)c1ccccn1

InChI Key: InChIKey=XMPKUEYZNYMSHN-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 = 50147808   

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))	BDBM50147808 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-2-ox...) Show SMILES FC(F)(CNc1nccn(CC(=O)NCc2ccccc2-n2cncn2)c1=O)c1ccccn1 Show InChI InChI=1S/C22H20F2N8O2/c23-22(24,18-7-3-4-8-26-18)13-29-20-21(34)31(10-9-27-20)12-19(33)28-11-16-5-1-2-6-17(16)32-15-25-14-30-32/h1-10,14-15H,11-13H2,(H,27,29)(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory potency against human thrombin				J Med Chem 47: 2995-3008 (2004) Article DOI: 10.1021/jm030303e BindingDB Entry DOI: 10.7270/Q270826B
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