BDBM245290 US9428504, 28

SMILES: CC(C)c1nc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3C(F)(F)F)cs1

InChI Key: InChIKey=QFCJAYKGVWSKJE-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 = 245290   

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))	BDBM245290 (US9428504, 28) Show SMILES CC(C)c1nc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3C(F)(F)F)cs1 Show InChI InChI=1S/C31H38F3N5O2S/c1-19(2)27-36-24(16-42-27)37-28(41)35-21-8-6-7-9-22(21)39-18-30(12-14-38(15-13-30)17-29(3,4)5)25-20(31(32,33)34)10-11-23(40)26(25)39/h6-11,16,19,40H,12-15,17-18H2,1-5H3,(H2,35,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.60	-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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