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SMILES: Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br

InChI Key: InChIKey=FEEKLFYBGVYSJT-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50259853   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259853
PNG
(CHEMBL4092954)
Show SMILES Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br
Show InChI InChI=1S/C10H4Br2N4O3/c11-5-2-3-1-4(9-13-15-16-14-9)10(18)19-8(3)6(12)7(5)17/h1-2,17H,(H,13,14,15,16)
KEGG

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n/an/an/an/a 67n/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))
BDBM50259853
PNG
(CHEMBL4092954)
Show SMILES Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br
Show InChI InChI=1S/C10H4Br2N4O3/c11-5-2-3-1-4(9-13-15-16-14-9)10(18)19-8(3)6(12)7(5)17/h1-2,17H,(H,13,14,15,16)
KEGG

UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/a 23n/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))
BDBM50259853
PNG
(CHEMBL4092954)
Show SMILES Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br
Show InChI InChI=1S/C10H4Br2N4O3/c11-5-2-3-1-4(9-13-15-16-14-9)10(18)19-8(3)6(12)7(5)17/h1-2,17H,(H,13,14,15,16)
KEGG

UniProtKB/SwissProt

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PubMed
n/an/an/an/a 1.54E+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))
BDBM50259853
PNG
(CHEMBL4092954)
Show SMILES Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br
Show InChI InChI=1S/C10H4Br2N4O3/c11-5-2-3-1-4(9-13-15-16-14-9)10(18)19-8(3)6(12)7(5)17/h1-2,17H,(H,13,14,15,16)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 68n/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