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BDBM50436012 CHEMBL2392170

SMILES: OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3)c2o1

InChI Key: InChIKey=MNBKFBNIOCSONB-UHFFFAOYSA-N

Data: 1 KI  3 EC50

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 = 50436012   
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))
BDBM50436012
PNG
(CHEMBL2392170)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3)c2o1
Show InChI InChI=1S/C17H9BrClNO5/c18-9-5-11-13(21)7-14(17(23)24)25-15(11)12(6-9)20-16(22)8-1-3-10(19)4-2-8/h1-7H,(H,20,22)(H,23,24)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.80n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436012
PNG
(CHEMBL2392170)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3)c2o1
Show InChI InChI=1S/C17H9BrClNO5/c18-9-5-11-13(21)7-14(17(23)24)25-15(11)12(6-9)20-16(22)8-1-3-10(19)4-2-8/h1-7H,(H,20,22)(H,23,24)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporte...


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436012
PNG
(CHEMBL2392170)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3)c2o1
Show InChI InChI=1S/C17H9BrClNO5/c18-9-5-11-13(21)7-14(17(23)24)25-15(11)12(6-9)20-16(22)8-1-3-10(19)4-2-8/h1-7H,(H,20,22)(H,23,24)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 41n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35b expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase report...


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436012
PNG
(CHEMBL2392170)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3)c2o1
Show InChI InChI=1S/C17H9BrClNO5/c18-9-5-11-13(21)7-14(17(23)24)25-15(11)12(6-9)20-16(22)8-1-3-10(19)4-2-8/h1-7H,(H,20,22)(H,23,24)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment as...


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
More data for this
Ligand-Target Pair