BDBM50397170 CHEMBL2172144

SMILES: OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCC(CC1)C(=O)c1ccccc1

InChI Key: InChIKey=MMFKCRKIICEICG-SMCANUKXSA-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 = 50397170   

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))	BDBM50397170 (CHEMBL2172144) Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCC(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C38H44N6O8/c45-32(43-20-8-15-31(43)37(50)39-27-11-7-12-27)24-52-33-23-30(41-44(33)28-13-5-2-6-14-28)36(49)40-29(16-17-34(46)47)38(51)42-21-18-26(19-22-42)35(48)25-9-3-1-4-10-25/h1-6,9-10,13-14,23,26-27,29,31H,7-8,11-12,15-22,24H2,(H,39,50)(H,40,49)(H,46,47)/t29-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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