BDBM119431 US8669266, 528

SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)c2ccc(C)cc2n1

InChI Key: InChIKey=IEPRSILLVXTIIZ-NSOVKSMOSA-N

Data: 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 1 hit for monomerid = 119431   

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
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM119431 (US8669266, 528) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)c2ccc(C)cc2n1 Show InChI InChI=1S/C34H46N6O8/c1-3-4-17-47-34(46)39-15-13-38(14-16-39)33(45)27(20-41)37-31(43)26-19-29(24-11-10-22(2)18-25(24)36-26)48-21-30(42)40-12-6-9-28(40)32(44)35-23-7-5-8-23/h10-11,18-19,23,27-28,41H,3-9,12-17,20-21H2,1-2H3,(H,35,44)(H,37,43)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The ability of a test compound to bind to the P2Y12 receptor was evaluated in a recombinant cell membrane binding assay. In this competitive binding ...				US Patent US8669266 (2014) BindingDB Entry DOI: 10.7270/Q2DJ5D9R
					More data for this Ligand-Target Pair