BDBM50306970 (S)-5-oxo-4-(4-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)-6-phenylpicolinamido)-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL602109

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1

InChI Key: InChIKey=GYJIGVIZMDGPSV-PMERELPUSA-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 = 50306970   

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))	BDBM50306970 ((S)-5-oxo-4-(4-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 |r| Show InChI InChI=1S/C37H51N7O7/c1-2-3-9-24-51-37(50)44-22-20-43(21-23-44)36(49)30(12-13-34(46)47)39-35(48)32-26-29(25-31(38-32)28-10-5-4-6-11-28)41-18-16-40(17-19-41)27-33(45)42-14-7-8-15-42/h4-6,10-11,25-26,30H,2-3,7-9,12-24,27H2,1H3,(H,39,48)(H,46,47)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	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 Inhibition of human P2Y12 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1388-94 (2010) Article DOI: 10.1016/j.bmcl.2009.12.110 BindingDB Entry DOI: 10.7270/Q2ZP467B
					More data for this Ligand-Target Pair