BDBM50172857 (2,2-Difluoro-2-pyridin-2-yl-ethyl)-[2-(2-[1,2,4]triazol-1-yl-benzyl)-benzooxazol-4-yl]-amine::CHEMBL194975

SMILES: FC(F)(CNc1cccc2oc(Cc3ccccc3-n3cncn3)nc12)c1ccccn1

InChI Key: InChIKey=ZSQVHYRZWGNONN-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 = 50172857   

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))	BDBM50172857 ((2,2-Difluoro-2-pyridin-2-yl-ethyl)-[2-(2-[1,2,4]t...) Show SMILES FC(F)(CNc1cccc2oc(Cc3ccccc3-n3cncn3)nc12)c1ccccn1 Show InChI InChI=1S/C23H18F2N6O/c24-23(25,20-10-3-4-11-27-20)13-28-17-7-5-9-19-22(17)30-21(32-19)12-16-6-1-2-8-18(16)31-15-26-14-29-31/h1-11,14-15,28H,12-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	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 constant against thrombin				Bioorg Med Chem Lett 15: 4411-6 (2005) Article DOI: 10.1016/j.bmcl.2005.07.022 BindingDB Entry DOI: 10.7270/Q22Z153P
					More data for this Ligand-Target Pair