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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Probable G-protein coupled receptor 34' and Ligand = 'BDBM50177117'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Probable G-protein coupled receptor 34


(Mus musculus)
BDBM50177117
PNG
(CHEMBL3814092)
Show SMILES N[C@@H](COP(O)(=O)O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C31H36NO11P/c32-26(31(34)35)20-41-44(36,37)43-28-14-7-17-38-29(28)21-40-30(33)16-15-23-9-4-5-13-27(23)39-19-22-8-6-12-25(18-22)42-24-10-2-1-3-11-24/h1-6,8-13,18,26,28-29H,7,14-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28+,29+/m0/s1
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Article
PubMed
n/an/an/an/a 138n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR34 expressed in HEK293A cells cotransfected with chimeric Galphaq/il after 1.5 hrs by alkaline phosphatase tagged-TGFalp...


J Med Chem 59: 3750-76 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01925
BindingDB Entry DOI: 10.7270/Q2542QHQ
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Mus musculus)
BDBM50177117
PNG
(CHEMBL3814092)
Show SMILES N[C@@H](COP(O)(=O)O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C31H36NO11P/c32-26(31(34)35)20-41-44(36,37)43-28-14-7-17-38-29(28)21-40-30(33)16-15-23-9-4-5-13-27(23)39-19-22-8-6-12-25(18-22)42-24-10-2-1-3-11-24/h1-6,8-13,18,26,28-29H,7,14-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28+,29+/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 140n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR34 expressed in HEK293A cells cotransfected with chimeric Galphaq/il after 1.5 hrs by alkaline phosphatase tagged-TGFalp...


J Med Chem 59: 3750-76 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01925
BindingDB Entry DOI: 10.7270/Q2542QHQ
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50177117
PNG
(CHEMBL3814092)
Show SMILES N[C@@H](COP(O)(=O)O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C31H36NO11P/c32-26(31(34)35)20-41-44(36,37)43-28-14-7-17-38-29(28)21-40-30(33)16-15-23-9-4-5-13-27(23)39-19-22-8-6-12-25(18-22)42-24-10-2-1-3-11-24/h1-6,8-13,18,26,28-29H,7,14-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28+,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 151n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP-TGFalpha/chimeric Galphaq/i1 assessed as induction of AP-TGFalpha re...


J Med Chem 60: 6384-6399 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00693
BindingDB Entry DOI: 10.7270/Q2FX7CR1
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Mus musculus)
BDBM50177117
PNG
(CHEMBL3814092)
Show SMILES N[C@@H](COP(O)(=O)O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C31H36NO11P/c32-26(31(34)35)20-41-44(36,37)43-28-14-7-17-38-29(28)21-40-30(33)16-15-23-9-4-5-13-27(23)39-19-22-8-6-12-25(18-22)42-24-10-2-1-3-11-24/h1-6,8-13,18,26,28-29H,7,14-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28+,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 182n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP-TGFalpha/chimeric Galphaq/i1 assessed as induction of ectodomain she...


J Med Chem 60: 6384-6399 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00693
BindingDB Entry DOI: 10.7270/Q2FX7CR1
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50177117
PNG
(CHEMBL3814092)
Show SMILES N[C@@H](COP(O)(=O)O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C31H36NO11P/c32-26(31(34)35)20-41-44(36,37)43-28-14-7-17-38-29(28)21-40-30(33)16-15-23-9-4-5-13-27(23)39-19-22-8-6-12-25(18-22)42-24-10-2-1-3-11-24/h1-6,8-13,18,26,28-29H,7,14-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28+,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 150n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP-TGFalpha/chimeric Galphaq/i1 assessed as induction of AP-TGFalpha re...


J Med Chem 60: 6384-6399 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00693
BindingDB Entry DOI: 10.7270/Q2FX7CR1
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Mus musculus)
BDBM50177117
PNG
(CHEMBL3814092)
Show SMILES N[C@@H](COP(O)(=O)O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C31H36NO11P/c32-26(31(34)35)20-41-44(36,37)43-28-14-7-17-38-29(28)21-40-30(33)16-15-23-9-4-5-13-27(23)39-19-22-8-6-12-25(18-22)42-24-10-2-1-3-11-24/h1-6,8-13,18,26,28-29H,7,14-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28+,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 180n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 60: 6384-6399 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00693
BindingDB Entry DOI: 10.7270/Q2FX7CR1
More data for this
Ligand-Target Pair