BindingDB logo
myBDB logout

BDBM50436020 CHEMBL2392173

SMILES: OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(cc3)C#N)c2o1

InChI Key: InChIKey=BFEJXEIMQKFBFT-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50436020   
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)
BDBM50436020
PNG
(CHEMBL2392173)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(cc3)C#N)c2o1
Show InChI InChI=1S/C18H9BrN2O5/c19-11-5-12-14(22)7-15(18(24)25)26-16(12)13(6-11)21-17(23)10-3-1-9(8-20)2-4-10/h1-7H,(H,21,23)(H,24,25)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
148n/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
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM50436020
PNG
(CHEMBL2392173)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(cc3)C#N)c2o1
Show InChI InChI=1S/C18H9BrN2O5/c19-11-5-12-14(22)7-15(18(24)25)26-16(12)13(6-11)21-17(23)10-3-1-9(8-20)2-4-10/h1-7H,(H,21,23)(H,24,25)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 399n/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)

More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436020
PNG
(CHEMBL2392173)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(cc3)C#N)c2o1
Show InChI InChI=1S/C18H9BrN2O5/c19-11-5-12-14(22)7-15(18(24)25)26-16(12)13(6-11)21-17(23)10-3-1-9(8-20)2-4-10/h1-7H,(H,21,23)(H,24,25)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.26E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 56: 5182-97 (2013)

More data for this
Ligand-Target Pair