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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 35' and Ligand = 'BDBM50233945'   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233945
PNG
(CHEBI:18344 | Kynurenic Acid | TRANSTORINE)
Show SMILES OC(=O)c1cc(=O)c2ccccc2[nH]1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at GPR35 (unknown origin)


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
BindingDB Entry DOI: 10.7270/Q2H41TPX
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233945
PNG
(CHEBI:18344 | Kynurenic Acid | TRANSTORINE)
Show SMILES OC(=O)c1cc(=O)c2ccccc2[nH]1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.52E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at human GPR35 receptor by DMR assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01624
BindingDB Entry DOI: 10.7270/Q2T72N8P
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233945
PNG
(CHEBI:18344 | Kynurenic Acid | TRANSTORINE)
Show SMILES OC(=O)c1cc(=O)c2ccccc2[nH]1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
PDB

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UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.17E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at human GPR35 receptor by beta-arrestin assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01624
BindingDB Entry DOI: 10.7270/Q2T72N8P
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233945
PNG
(CHEBI:18344 | Kynurenic Acid | TRANSTORINE)
Show SMILES OC(=O)c1cc(=O)c2ccccc2[nH]1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.52E+5n/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in CHO-K1 cells by DMR assay


J Med Chem 60: 362-372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01431
BindingDB Entry DOI: 10.7270/Q2J67KC8
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233945
PNG
(CHEBI:18344 | Kynurenic Acid | TRANSTORINE)
Show SMILES OC(=O)c1cc(=O)c2ccccc2[nH]1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.17E+5n/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay


J Med Chem 60: 362-372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01431
BindingDB Entry DOI: 10.7270/Q2J67KC8
More data for this
Ligand-Target Pair