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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 35' and Ligand = 'BDBM50259846'   
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))
BDBM50259846
PNG
(CHEMBL4103860)
Show SMILES Oc1c(Br)cc2cc(C#N)c(=O)oc2c1Br
Show InChI InChI=1S/C10H3Br2NO3/c11-6-2-4-1-5(3-13)10(15)16-9(4)7(12)8(6)14/h1-2,14H
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 2.89E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


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))
BDBM50259846
PNG
(CHEMBL4103860)
Show SMILES Oc1c(Br)cc2cc(C#N)c(=O)oc2c1Br
Show InChI InChI=1S/C10H3Br2NO3/c11-6-2-4-1-5(3-13)10(15)16-9(4)7(12)8(6)14/h1-2,14H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.33E+3n/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at TEV protease cleavage site linked GAL4-VP16-fused GPR35 in human Tango GPR35-bla U2OS cells assessed as induction of TEV protease...


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))
BDBM50259846
PNG
(CHEMBL4103860)
Show SMILES Oc1c(Br)cc2cc(C#N)c(=O)oc2c1Br
Show InChI InChI=1S/C10H3Br2NO3/c11-6-2-4-1-5(3-13)10(15)16-9(4)7(12)8(6)14/h1-2,14H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.33E+3n/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 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