BDBM50306985 (S)-4-(4-(4-(diethylcarbamoyl)piperidin-1-yl)-6-phenylpicolinamido)-5-(4-(hexyloxycarbonyl)piperazin-1-yl)-5-oxopentanoic acid::CHEMBL601904

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

InChI Key: InChIKey=PERRQLWKIDIDAR-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 = 50306985   

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))	BDBM50306985 ((S)-4-(4-(4-(diethylcarbamoyl)piperidin-1-yl)-6-ph...) Show SMILES CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC |r| Show InChI InChI=1S/C38H54N6O7/c1-4-7-8-12-25-51-38(50)44-23-21-43(22-24-44)37(49)31(15-16-34(45)46)40-35(47)33-27-30(26-32(39-33)28-13-10-9-11-14-28)42-19-17-29(18-20-42)36(48)41(5-2)6-3/h9-11,13-14,26-27,29,31H,4-8,12,15-25H2,1-3H3,(H,40,47)(H,45,46)/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	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