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BDBM50307003 (4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-5-oxo-4-[({6-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-yl}carbonyl)amino]pentanoic Acid::(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(6-phenyl-4-(4-(pyrrolidin-1-ylmethyl)piperidin-1-yl)picolinamido)pentanoic acid::CHEMBL601478

SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1

InChI Key: InChIKey=UZCPEIIGRIENAP-PMERELPUSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50307003   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307003
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-5-oxo-4-[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r|
Show InChI InChI=1S/C36H50N6O6/c1-2-3-23-48-36(47)42-21-19-41(20-22-42)35(46)30(11-12-33(43)44)38-34(45)32-25-29(24-31(37-32)28-9-5-4-6-10-28)40-17-13-27(14-18-40)26-39-15-7-8-16-39/h4-6,9-10,24-25,27,30H,2-3,7-8,11-23,26H2,1H3,(H,38,45)(H,43,44)/t30-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/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))
BDBM50307003
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-5-oxo-4-[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r|
Show InChI InChI=1S/C36H50N6O6/c1-2-3-23-48-36(47)42-21-19-41(20-22-42)35(46)30(11-12-33(43)44)38-34(45)32-25-29(24-31(37-32)28-9-5-4-6-10-28)40-17-13-27(14-18-40)26-39-15-7-8-16-39/h4-6,9-10,24-25,27,30H,2-3,7-8,11-23,26H2,1H3,(H,38,45)(H,43,44)/t30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/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