BDBM50126289 2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)-ethylamino]-2-oxo-2H-pyrazin-1-yl}-N-(2-difluoromethoxy-benzyl)-acetamide::CHEMBL27180

SMILES: [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccccc2OC(F)F)c1=O

InChI Key: InChIKey=MIKVZEXDFZNDDM-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 = 50126289   

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))	BDBM50126289 (2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)...) Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccccc2OC(F)F)c1=O Show InChI InChI=1S/C21H18ClF4N5O4/c22-16-10-28-18(29-12-21(25,26)15-7-3-4-8-31(15)34)19(33)30(16)11-17(32)27-9-13-5-1-2-6-14(13)35-20(23)24/h1-8,10,20H,9,11-12H2,(H,27,32)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	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 activity against human thrombin				Bioorg Med Chem Lett 13: 1353-7 (2003) BindingDB Entry DOI: 10.7270/Q2833RC9
					More data for this Ligand-Target Pair