BDBM245413 US9428504, 172

SMILES: CC(C)(C)CN1CCC2(CN(c3c2cccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1

InChI Key: InChIKey=JBQCHZZVFVEGAV-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 = 245413   

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))	BDBM245413 (US9428504, 172) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2cccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1 Show InChI InChI=1S/C30H33ClN6O2S/c1-29(2,3)17-36-15-13-30(14-16-36)18-37(25-19(30)7-6-10-23(25)38)22-9-5-4-8-20(22)32-27(39)35-28-33-21-11-12-24(31)34-26(21)40-28/h4-12,38H,13-18H2,1-3H3,(H2,32,33,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.30	-11.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
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