BDBM50429557 CHEMBL2333357

SMILES: COc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1

InChI Key: InChIKey=ZRWUIFOCXAHZKA-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 = 50429557   

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
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50429557 (CHEMBL2333357) Show SMILES COc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H16F3N3O3/c1-28-15-9-7-14(8-10-15)25-19(27)26-17-6-3-11-24-18(17)29-16-5-2-4-13(12-16)20(21,22)23/h2-12H,1H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...				J Med Chem 56: 1704-14 (2013) Article DOI: 10.1021/jm301708u BindingDB Entry DOI: 10.7270/Q2ST7R6G
					More data for this Ligand-Target Pair