BDBM50397159 CHEMBL2172155

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

InChI Key: InChIKey=QYFBHRVKSQDRCF-UIOOFZCWSA-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 = 50397159   

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))	BDBM50397159 (CHEMBL2172155) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CNS(C)(=O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H44N8O9S/c1-3-48-32(45)38-17-15-37(16-18-38)31(44)25(20-33-50(2,46)47)35-29(42)24-19-28(40(36-24)23-11-5-4-6-12-23)49-21-27(41)39-14-8-13-26(39)30(43)34-22-9-7-10-22/h4-6,11-12,19,22,25-26,33H,3,7-10,13-18,20-21H2,1-2H3,(H,34,43)(H,35,42)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	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