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BDBM50307002 (4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-[({6-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-yl}-carbonyl)amino]pentanoic Acid::(S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(4-(pyrrolidin-1-ylmethyl)piperidin-1-yl)picolinamido)pentanoic acid::CHEMBL601692

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

InChI Key: InChIKey=BDSUWXPQUDLPGI-HKBQPEDESA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50307002   
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))
BDBM50307002
PNG
((4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-y...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r|
Show InChI InChI=1S/C37H52N6O6/c1-2-3-9-24-49-37(48)43-22-20-42(21-23-43)36(47)31(12-13-34(44)45)39-35(46)33-26-30(25-32(38-33)29-10-5-4-6-11-29)41-18-14-28(15-19-41)27-40-16-7-8-17-40/h4-6,10-11,25-26,28,31H,2-3,7-9,12-24,27H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/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))
BDBM50307002
PNG
((4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-y...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r|
Show InChI InChI=1S/C37H52N6O6/c1-2-3-9-24-49-37(48)43-22-20-42(21-23-43)36(47)31(12-13-34(44)45)39-35(46)33-26-30(25-32(38-33)29-10-5-4-6-11-29)41-18-14-28(15-19-41)27-40-16-7-8-17-40/h4-6,10-11,25-26,28,31H,2-3,7-9,12-24,27H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/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