BDBM50292204 CHEMBL196455::N-Benzyl-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-1-oxy-pyridin-2-yl]-acetamide

SMILES: [O-][n+]1c(NCC(F)(F)c2ccccn2)ccc(C#N)c1CC(=O)NCc1ccccc1

InChI Key: InChIKey=WJIWFRWKGABLTN-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 = 50292204   

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))	BDBM50292204 (CHEMBL196455 | N-Benzyl-2-[3-cyano-6-(2,2-difluoro...) Show SMILES [O-][n+]1c(NCC(F)(F)c2ccccn2)ccc(C#N)c1CC(=O)NCc1ccccc1 Show InChI InChI=1S/C22H19F2N5O2/c23-22(24,19-8-4-5-11-26-19)15-28-20-10-9-17(13-25)18(29(20)31)12-21(30)27-14-16-6-2-1-3-7-16/h1-11,28H,12,14-15H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against thrombin in human plasma				Bioorg Med Chem Lett 15: 2771-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.110 BindingDB Entry DOI: 10.7270/Q2PN96C6
					More data for this Ligand-Target Pair