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BDBM50307007 (4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{4-[(dimethylamino)ethyl]piperidin-1-yl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxopentanoic Acid::(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-((dimethylamino)methyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxopentanoic acid::CHEMBL589584

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

InChI Key: InChIKey=ZQBFJKVOQPLCOS-NDEPHWFRSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50307007   
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))
BDBM50307007
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{4...)
Show SMILES CCCCOC(=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/C34H48N6O6/c1-4-5-21-46-34(45)40-19-17-39(18-20-40)33(44)28(11-12-31(41)42)36-32(43)30-23-27(22-29(35-30)26-9-7-6-8-10-26)38-15-13-25(14-16-38)24-37(2)3/h6-10,22-23,25,28H,4-5,11-21,24H2,1-3H3,(H,36,43)(H,41,42)/t28-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
3.20n/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))
BDBM50307007
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{4...)
Show SMILES CCCCOC(=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/C34H48N6O6/c1-4-5-21-46-34(45)40-19-17-39(18-20-40)33(44)28(11-12-31(41)42)36-32(43)30-23-27(22-29(35-30)26-9-7-6-8-10-26)38-15-13-25(14-16-38)24-37(2)3/h6-10,22-23,25,28H,4-5,11-21,24H2,1-3H3,(H,36,43)(H,41,42)/t28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.20n/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