Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50044188'   

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 12 (Homo sapiens (Human))	BDBM50044188 (8-Methyl-2-morpholin-4-yl-7-(pyridin-3-ylmethoxy)-...) Show SMILES Cc1c(OCc2cccnc2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H20N2O4/c1-14-18(25-13-15-3-2-6-21-12-15)5-4-16-17(23)11-19(26-20(14)16)22-7-9-24-10-8-22/h2-6,11-12H,7-10,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair