BDBM50306978 (S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(4-(2-propoxyethyl)piperazin-1-yl)picolinamido)pentanoic acid::CHEMBL589697

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

InChI Key: InChIKey=IDWQNQBELOTRDC-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 = 50306978   

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))	BDBM50306978 ((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCN(CCOCCC)CC1 |r| Show InChI InChI=1S/C36H52N6O7/c1-3-5-9-24-49-36(47)42-20-18-41(19-21-42)35(46)30(12-13-33(43)44)38-34(45)32-27-29(26-31(37-32)28-10-7-6-8-11-28)40-16-14-39(15-17-40)22-25-48-23-4-2/h6-8,10-11,26-27,30H,3-5,9,12-25H2,1-2H3,(H,38,45)(H,43,44)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	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