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BDBM50435999 CHEMBL2392182

SMILES: COc1ccc(nc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O

InChI Key: InChIKey=HUCLWZDRJIRCBM-UHFFFAOYSA-N

Data: 1 KI  1 IC50  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 4 hits for monomerid = 50435999   
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)
BDBM50435999
PNG
(CHEMBL2392182)
Show SMILES COc1ccc(nc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C17H11BrN2O6/c1-25-9-2-3-11(19-7-9)16(22)20-12-5-8(18)4-10-13(21)6-14(17(23)24)26-15(10)12/h2-7H,1H3,(H,20,22)(H,23,24)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
57n/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 GPR35


(Rattus norvegicus)
BDBM50435999
PNG
(CHEMBL2392182)
Show SMILES COc1ccc(nc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C17H11BrN2O6/c1-25-9-2-3-11(19-7-9)16(22)20-12-5-8(18)4-10-13(21)6-14(17(23)24)26-15(10)12/h2-7H,1H3,(H,20,22)(H,23,24)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.54E+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
G-protein coupled receptor 35


(Homo sapiens)
BDBM50435999
PNG
(CHEMBL2392182)
Show SMILES COc1ccc(nc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C17H11BrN2O6/c1-25-9-2-3-11(19-7-9)16(22)20-12-5-8(18)4-10-13(21)6-14(17(23)24)26-15(10)12/h2-7H,1H3,(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 144n/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 55


(Homo sapiens)
BDBM50435999
PNG
(CHEMBL2392182)
Show SMILES COc1ccc(nc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C17H11BrN2O6/c1-25-9-2-3-11(19-7-9)16(22)20-12-5-8(18)4-10-13(21)6-14(17(23)24)26-15(10)12/h2-7H,1H3,(H,20,22)(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.92E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR55 expressed in CHO cells assessed as inhibition of lysophosphotidylinositol-induced beta-arrestin recruitment preinc...


J Med Chem 56: 5182-97 (2013)

More data for this
Ligand-Target Pair