BDBM50397158 CHEMBL2172127

SMILES: CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCNS(C)(=O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1

InChI Key: InChIKey=WWQPPZJEYLRXEO-BDYUSTAISA-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 = 50397158   

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 P2Y12 (Homo sapiens (Human))	BDBM50397158 (CHEMBL2172127) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCNS(C)(=O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C33H46N8O9S/c1-3-49-33(46)39-19-17-38(18-20-39)32(45)25(14-15-34-51(2,47)48)36-30(43)26-21-29(41(37-26)24-11-5-4-6-12-24)50-22-28(42)40-16-8-13-27(40)31(44)35-23-9-7-10-23/h4-6,11-12,21,23,25,27,34H,3,7-10,13-20,22H2,1-2H3,(H,35,44)(H,36,43)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair