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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Probable G-protein coupled receptor 34' and Ligand = 'BDBM50238930'   
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)
BDBM50238930
PNG
(CHEMBL4094801)
Show SMILES N[C@@H](COP(O)(=O)OCCCOC(=O)CCc1ccccc1OCc1cccc(Oc2ccc(cc2)C#N)c1)C(O)=O |r|
Show InChI InChI=1S/C29H31N2O10P/c30-18-21-9-12-24(13-10-21)41-25-7-3-5-22(17-25)19-38-27-8-2-1-6-23(27)11-14-28(32)37-15-4-16-39-42(35,36)40-20-26(31)29(33)34/h1-3,5-10,12-13,17,26H,4,11,14-16,19-20,31H2,(H,33,34)(H,35,36)/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.95E+3n/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


(Mus musculus)
BDBM50238930
PNG
(CHEMBL4094801)
Show SMILES N[C@@H](COP(O)(=O)OCCCOC(=O)CCc1ccccc1OCc1cccc(Oc2ccc(cc2)C#N)c1)C(O)=O |r|
Show InChI InChI=1S/C29H31N2O10P/c30-18-21-9-12-24(13-10-21)41-25-7-3-5-22(17-25)19-38-27-8-2-1-6-23(27)11-14-28(32)37-15-4-16-39-42(35,36)40-20-26(31)29(33)34/h1-3,5-10,12-13,17,26H,4,11,14-16,19-20,31H2,(H,33,34)(H,35,36)/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 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