BDBM50307712 (4S)5-{4-[(Hexyloxy)carbonyl]piperazin-1-yl}-5-oxo-4-({[6-phenyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridin-2-yl]carbonyl}amino)pentanoic Acid::CHEMBL590744

SMILES: CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1

InChI Key: InChIKey=GTDLVZKVJAJGRX-HKBQPEDESA-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 = 50307712   

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))	BDBM50307712 ((4S)5-{4-[(Hexyloxy)carbonyl]piperazin-1-yl}-5-oxo...) Show SMILES CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1 |r| Show InChI InChI=1S/C37H52N6O6/c1-2-3-4-10-25-49-37(48)43-23-21-42(22-24-43)36(47)31(13-14-34(44)45)39-35(46)33-27-30(26-32(38-33)28-11-6-5-7-12-28)41-19-15-29(16-20-41)40-17-8-9-18-40/h5-7,11-12,26-27,29,31H,2-4,8-10,13-25H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells				J Med Chem 53: 2010-37 (2010) Article DOI: 10.1021/jm901518t BindingDB Entry DOI: 10.7270/Q2HH6K50
					More data for this Ligand-Target Pair