BDBM50306992 (S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-(isopropylcarbamoyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxopentanoic acid::CHEMBL601697

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

InChI Key: InChIKey=PAIVOHUBUGKRRP-NDEPHWFRSA-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 = 50306992   

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))	BDBM50306992 ((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-(...) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NC(C)C |r| Show InChI InChI=1S/C35H48N6O7/c1-4-5-21-48-35(47)41-19-17-40(18-20-41)34(46)28(11-12-31(42)43)38-33(45)30-23-27(22-29(37-30)25-9-7-6-8-10-25)39-15-13-26(14-16-39)32(44)36-24(2)3/h6-10,22-24,26,28H,4-5,11-21H2,1-3H3,(H,36,44)(H,38,45)(H,42,43)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	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