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BDBM28674 2-({3-[(2-carboxy-4-chlorophenyl)carbamoyl]benzene}sulfonyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid::Anthranilic acid deriv., 13

SMILES: OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2C(O)=O

InChI Key: InChIKey=JFUVFUCRMGFVPT-UHFFFAOYSA-N

Data: 6 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 28674   
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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28674
PNG
(2-({3-[(2-carboxy-4-chlorophenyl)carbamoyl]benzene...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2C(O)=O
Show InChI InChI=1S/C24H19ClN2O7S/c25-16-7-8-21(20(12-16)24(31)32)26-22(28)14-3-1-5-17(11-14)35(33,34)27-10-9-18-15(13-27)4-2-6-19(18)23(29)30/h1-8,11-12H,9-10,13H2,(H,26,28)(H,29,30)(H,31,32)
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Article
PubMed
n/an/a 4n/a 1.26E+3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28674
PNG
(2-({3-[(2-carboxy-4-chlorophenyl)carbamoyl]benzene...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2C(O)=O
Show InChI InChI=1S/C24H19ClN2O7S/c25-16-7-8-21(20(12-16)24(31)32)26-22(28)14-3-1-5-17(11-14)35(33,34)27-10-9-18-15(13-27)4-2-6-19(18)23(29)30/h1-8,11-12H,9-10,13H2,(H,26,28)(H,29,30)(H,31,32)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28674
PNG
(2-({3-[(2-carboxy-4-chlorophenyl)carbamoyl]benzene...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2C(O)=O
Show InChI InChI=1S/C24H19ClN2O7S/c25-16-7-8-21(20(12-16)24(31)32)26-22(28)14-3-1-5-17(11-14)35(33,34)27-10-9-18-15(13-27)4-2-6-19(18)23(29)30/h1-8,11-12H,9-10,13H2,(H,26,28)(H,29,30)(H,31,32)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28674
PNG
(2-({3-[(2-carboxy-4-chlorophenyl)carbamoyl]benzene...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2C(O)=O
Show InChI InChI=1S/C24H19ClN2O7S/c25-16-7-8-21(20(12-16)24(31)32)26-22(28)14-3-1-5-17(11-14)35(33,34)27-10-9-18-15(13-27)4-2-6-19(18)23(29)30/h1-8,11-12H,9-10,13H2,(H,26,28)(H,29,30)(H,31,32)
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28674
PNG
(2-({3-[(2-carboxy-4-chlorophenyl)carbamoyl]benzene...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2C(O)=O
Show InChI InChI=1S/C24H19ClN2O7S/c25-16-7-8-21(20(12-16)24(31)32)26-22(28)14-3-1-5-17(11-14)35(33,34)27-10-9-18-15(13-27)4-2-6-19(18)23(29)30/h1-8,11-12H,9-10,13H2,(H,26,28)(H,29,30)(H,31,32)
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KEGG

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Article
PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28674
PNG
(2-({3-[(2-carboxy-4-chlorophenyl)carbamoyl]benzene...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2C(O)=O
Show InChI InChI=1S/C24H19ClN2O7S/c25-16-7-8-21(20(12-16)24(31)32)26-22(28)14-3-1-5-17(11-14)35(33,34)27-10-9-18-15(13-27)4-2-6-19(18)23(29)30/h1-8,11-12H,9-10,13H2,(H,26,28)(H,29,30)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair