BDBM50015279 CHEMBL3263059

SMILES: CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(o2)-c2ccccc2)CC1

InChI Key: InChIKey=DBCGTSSVFFASSE-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50015279   

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))	BDBM50015279 (CHEMBL3263059) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(o2)-c2ccccc2)CC1 Show InChI InChI=1S/C31H34ClN5O2/c1-30(2,3)19-36-17-15-31(16-18-36)20-37(27-25(38)14-13-22(32)26(27)31)24-12-8-7-11-23(24)33-29-35-34-28(39-29)21-9-5-4-6-10-21/h4-14,38H,15-20H2,1-3H3,(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	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
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50015279 (CHEMBL3263059) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(o2)-c2ccccc2)CC1 Show InChI InChI=1S/C31H34ClN5O2/c1-30(2,3)19-36-17-15-31(16-18-36)20-37(27-25(38)14-13-22(32)26(27)31)24-12-8-7-11-23(24)33-29-35-34-28(39-29)21-9-5-4-6-10-21/h4-14,38H,15-20H2,1-3H3,(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	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