BDBM260866 US9540323, 53::US9540323, example 53

SMILES: CCC1(CC)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1

InChI Key: InChIKey=QWZVBKOJDNALMI-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 = 260866   

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))	BDBM260866 (US9540323, 53 | US9540323, example 53) Show SMILES CCC1(CC)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1 Show InChI InChI=1S/C22H22Cl2N4O2S/c1-3-22(4-2)12-28(19-16(29)10-9-13(23)18(19)22)15-8-6-5-7-14(15)25-21(30)27-17-11-31-20(24)26-17/h5-11,29H,3-4,12H2,1-2H3,(H2,25,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	-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 US9540323 (2017) BindingDB Entry DOI: 10.7270/Q289141P
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