BDBM50397177 CHEMBL2172162

SMILES: CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2c2ncc(C)[nH]2)n(n1)-c1ccccc1

InChI Key: InChIKey=LHSSKYXYIJQMHP-ZCYQVOJMSA-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 = 50397177   

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))	BDBM50397177 (CHEMBL2172162) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2c2ncc(C)[nH]2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H40N8O8/c1-3-47-32(46)38-16-14-37(15-17-38)31(45)23(11-12-28(42)43)35-30(44)24-18-27(40(36-24)22-8-5-4-6-9-22)48-20-26(41)39-13-7-10-25(39)29-33-19-21(2)34-29/h4-6,8-9,18-19,23,25H,3,7,10-17,20H2,1-2H3,(H,33,34)(H,35,44)(H,42,43)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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