BDBM50147815 2-{3-[2,2-Difluoro-2-(1-oxy-pyridin-2-yl)-ethylamino]-2-oxo-2H-pyrazin-1-yl}-N-(2-[1,2,4]triazol-1-yl-benzyl)-acetamide::CHEMBL103197

SMILES: [O-][n+]1ccccc1C(F)(F)CNc1nccn(CC(=O)NCc2ccccc2-n2cncn2)c1=O

InChI Key: InChIKey=ZVYXNXBCWFJVEN-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 = 50147815   

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))	BDBM50147815 (2-{3-[2,2-Difluoro-2-(1-oxy-pyridin-2-yl)-ethylami...) Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1nccn(CC(=O)NCc2ccccc2-n2cncn2)c1=O Show InChI InChI=1S/C22H20F2N8O3/c23-22(24,18-7-3-4-9-32(18)35)13-28-20-21(34)30(10-8-26-20)12-19(33)27-11-16-5-1-2-6-17(16)31-15-25-14-29-31/h1-10,14-15H,11-13H2,(H,26,28)(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	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
					More data for this Ligand-Target Pair