BDBM50307006 (4S)4-{[(4-{4-[(Dimethylamino)ethyl]piperidin-1-yl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]-piperazin-1-yl}pentanoic Acid::(S)-4-(4-(4-((dimethylamino)methyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL589335

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

InChI Key: InChIKey=ZNFDYAMNUKXRBL-LJAQVGFWSA-N

Data: 2 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 2 hits for monomerid = 50307006   

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))	BDBM50307006 ((4S)4-{[(4-{4-[(Dimethylamino)ethyl]piperidin-1-yl...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN(C)C)CC1 |r| Show InChI InChI=1S/C35H50N6O6/c1-4-5-9-22-47-35(46)41-20-18-40(19-21-41)34(45)29(12-13-32(42)43)37-33(44)31-24-28(23-30(36-31)27-10-7-6-8-11-27)39-16-14-26(15-17-39)25-38(2)3/h6-8,10-11,23-24,26,29H,4-5,9,12-22,25H2,1-3H3,(H,37,44)(H,42,43)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50307006 ((4S)4-{[(4-{4-[(Dimethylamino)ethyl]piperidin-1-yl...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN(C)C)CC1 |r| Show InChI InChI=1S/C35H50N6O6/c1-4-5-9-22-47-35(46)41-20-18-40(19-21-41)34(45)29(12-13-32(42)43)37-33(44)31-24-28(23-30(36-31)27-10-7-6-8-11-27)39-16-14-26(15-17-39)25-38(2)3/h6-8,10-11,23-24,26,29H,4-5,9,12-22,25H2,1-3H3,(H,37,44)(H,42,43)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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 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