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BDBM50436001 CHEMBL2392174::CHEMBL2425818

SMILES: COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O

InChI Key: InChIKey=TZKQFDIFVZAYER-UHFFFAOYSA-N

Data: 1 KI  1 IC50  4 Kd  4 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 10 hits for monomerid = 50436001   
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)
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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5.20n/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)
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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PubMed
n/an/an/a 5.70n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive binding affinity to human recombinant GPR35 expressed in CHO cells by scintillation counting analysis in presence of MgCl2


J Med Chem 56: 7084-99 (2013)

Checked by Author
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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n/an/an/a 115n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GPR35 expressed in CHO cells by scintillation counting analysis in absence of MgCl2, NaCl, CaCl2


J Med Chem 56: 7084-99 (2013)

Checked by Author
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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n/an/an/a 5.30n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GPR35 expressed in CHO cells after 150 mins 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)
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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n/an/an/an/a 12n/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 35


(Homo sapiens)
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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n/an/an/a 5.90n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive binding affinity to human recombinant GPR35 expressed in CHO cells by scintillation counting analysis in presence of CaCl2


J Med Chem 56: 7084-99 (2013)

Checked by Author
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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n/an/an/an/a 12n/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 35


(Homo sapiens)
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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PubMed
n/an/an/an/a 22n/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)

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


(Rattus norvegicus)
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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PubMed
n/an/an/an/a 1.40E+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 55


(Homo sapiens)
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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PubMed
n/an/a 2.17E+4n/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