BDBM50307669 (4S)4-[({4-[(2-Methoxyethyl)methyl)amino]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid::CHEMBL590140

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

InChI Key: InChIKey=KKSJAEIYZFSFAS-VWLOTQADSA-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 = 50307669   

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))	BDBM50307669 ((4S)4-[({4-[(2-Methoxyethyl)methyl)amino]-6-phenyl...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N(C)CCOC |r| Show InChI InChI=1S/C31H43N5O7/c1-4-5-9-19-43-31(41)36-16-14-35(15-17-36)30(40)25(12-13-28(37)38)33-29(39)27-22-24(34(2)18-20-42-3)21-26(32-27)23-10-7-6-8-11-23/h6-8,10-11,21-22,25H,4-5,9,12-20H2,1-3H3,(H,33,39)(H,37,38)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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 Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells				J Med Chem 53: 2010-37 (2010) Article DOI: 10.1021/jm901518t BindingDB Entry DOI: 10.7270/Q2HH6K50
					More data for this Ligand-Target Pair