Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM50445190'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50445190 (CHEMBL3103628) Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CCCCc3ccccc23)cc1 Show InChI InChI=1S/C24H22F3N3O2/c25-24(26,27)32-19-14-12-18(13-15-19)28-23(31)29-20-9-2-4-11-22(20)30-16-6-5-8-17-7-1-3-10-21(17)30/h1-4,7,9-15H,5-6,8,16H2,(H2,28,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis				J Med Chem 56: 9275-95 (2013) Article DOI: 10.1021/jm4013906 BindingDB Entry DOI: 10.7270/Q2KW5HHP
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