BDBM50306965 (S)-4-(4-(4-(dimethylcarbamoyl)piperazin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL602112

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

InChI Key: InChIKey=CBLIQENJRDLRAN-MHZLTWQESA-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 = 50306965   

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))	BDBM50306965 ((S)-4-(4-(4-(dimethylcarbamoyl)piperazin-1-yl)-6-p...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCN(CC1)C(=O)N(C)C |r| Show InChI InChI=1S/C34H47N7O7/c1-4-5-9-22-48-34(47)41-20-16-39(17-21-41)32(45)27(12-13-30(42)43)36-31(44)29-24-26(23-28(35-29)25-10-7-6-8-11-25)38-14-18-40(19-15-38)33(46)37(2)3/h6-8,10-11,23-24,27H,4-5,9,12-22H2,1-3H3,(H,36,44)(H,42,43)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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