BDBM50292197 CHEMBL197141::N-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-2-[6-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-1-oxy-pyridin-2-yl]-acetamide

SMILES: ON1C(CC(=O)NCc2cc(Cl)ccc2-n2cncn2)=CCCC1=NCC(F)(F)c1ccccn1

InChI Key: InChIKey=ZJLLGUVWZPRTOW-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 = 50292197   

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))	BDBM50292197 (CHEMBL197141 | N-(5-Chloro-2-[1,2,4]triazol-1-yl-b...) Show SMILES ON1C(CC(=O)NCc2cc(Cl)ccc2-n2cncn2)=CCCC1=NCC(F)(F)c1ccccn1 |w:24.27,c:21| Show InChI InChI=1S/C23H22ClF2N7O2/c24-17-7-8-19(32-15-27-14-31-32)16(10-17)12-29-22(34)11-18-4-3-6-21(33(18)35)30-13-23(25,26)20-5-1-2-9-28-20/h1-2,4-5,7-10,14-15,35H,3,6,11-13H2,(H,29,34)	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 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