null

SMILES: CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nc(cs2)-c2ccccc2)CC1

InChI Key: InChIKey=GTFZYIQGXCUYBX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50015281   

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
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50015281 (CHEMBL3263061) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nc(cs2)-c2ccccc2)CC1 Show InChI InChI=1S/C32H35ClN4OS/c1-31(2,3)20-36-17-15-32(16-18-36)21-37(29-27(38)14-13-23(33)28(29)32)26-12-8-7-11-24(26)34-30-35-25(19-39-30)22-9-5-4-6-10-22/h4-14,19,38H,15-18,20-21H2,1-3H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis				Bioorg Med Chem Lett 24: 2481-5 (2014) Article DOI: 10.1016/j.bmcl.2014.04.011 BindingDB Entry DOI: 10.7270/Q2R78GS0
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50015281 (CHEMBL3263061) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nc(cs2)-c2ccccc2)CC1 Show InChI InChI=1S/C32H35ClN4OS/c1-31(2,3)20-36-17-15-32(16-18-36)21-37(29-27(38)14-13-23(33)28(29)32)26-12-8-7-11-24(26)34-30-35-25(19-39-30)22-9-5-4-6-10-22/h4-14,19,38H,15-18,20-21H2,1-3H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of P2Y1 receptor in human washed platelets assessed as decrease in 2-methylthio-ADP-induced calcium signal transduction pathway activation...				Bioorg Med Chem Lett 24: 2481-5 (2014) Article DOI: 10.1016/j.bmcl.2014.04.011 BindingDB Entry DOI: 10.7270/Q2R78GS0
					More data for this Ligand-Target Pair