BDBM245316 US9428504, 56

SMILES: Cc1ccc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)cc1F

InChI Key: InChIKey=QVLFMJNUEFSQPN-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 = 245316   

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))	BDBM245316 (US9428504, 56) Show SMILES Cc1ccc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)cc1F Show InChI InChI=1S/C31H36ClFN4O2/c1-20-9-10-21(17-23(20)33)34-29(39)35-24-7-5-6-8-25(24)37-19-31(27-22(32)11-12-26(38)28(27)37)13-15-36(16-14-31)18-30(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H2,34,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40	-11.2	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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