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BDBM28689 2-({3-[(6-chloro-1H-indole-1-)sulfonyl]benzene}amido)-5-methylbenzoic acid::Anthranilic acid deriv., 27

SMILES: Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3ccc(Cl)cc23)c(c1)C(O)=O

InChI Key: InChIKey=ATXPCFTUFHGWSH-UHFFFAOYSA-N

Data: 6 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 28689   
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))
BDBM28689
PNG
(2-({3-[(6-chloro-1H-indole-1-)sulfonyl]benzene}ami...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3ccc(Cl)cc23)c(c1)C(O)=O
Show InChI InChI=1S/C23H17ClN2O5S/c1-14-5-8-20(19(11-14)23(28)29)25-22(27)16-3-2-4-18(12-16)32(30,31)26-10-9-15-6-7-17(24)13-21(15)26/h2-13H,1H3,(H,25,27)(H,28,29)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/a 200n/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))
BDBM28689
PNG
(2-({3-[(6-chloro-1H-indole-1-)sulfonyl]benzene}ami...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3ccc(Cl)cc23)c(c1)C(O)=O
Show InChI InChI=1S/C23H17ClN2O5S/c1-14-5-8-20(19(11-14)23(28)29)25-22(27)16-3-2-4-18(12-16)32(30,31)26-10-9-15-6-7-17(24)13-21(15)26/h2-13H,1H3,(H,25,27)(H,28,29)
PDB

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UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.16E+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


(Homo sapiens (Human))
BDBM28689
PNG
(2-({3-[(6-chloro-1H-indole-1-)sulfonyl]benzene}ami...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3ccc(Cl)cc23)c(c1)C(O)=O
Show InChI InChI=1S/C23H17ClN2O5S/c1-14-5-8-20(19(11-14)23(28)29)25-22(27)16-3-2-4-18(12-16)32(30,31)26-10-9-15-6-7-17(24)13-21(15)26/h2-13H,1H3,(H,25,27)(H,28,29)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.00E+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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28689
PNG
(2-({3-[(6-chloro-1H-indole-1-)sulfonyl]benzene}ami...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3ccc(Cl)cc23)c(c1)C(O)=O
Show InChI InChI=1S/C23H17ClN2O5S/c1-14-5-8-20(19(11-14)23(28)29)25-22(27)16-3-2-4-18(12-16)32(30,31)26-10-9-15-6-7-17(24)13-21(15)26/h2-13H,1H3,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.16E+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))
BDBM28689
PNG
(2-({3-[(6-chloro-1H-indole-1-)sulfonyl]benzene}ami...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3ccc(Cl)cc23)c(c1)C(O)=O
Show InChI InChI=1S/C23H17ClN2O5S/c1-14-5-8-20(19(11-14)23(28)29)25-22(27)16-3-2-4-18(12-16)32(30,31)26-10-9-15-6-7-17(24)13-21(15)26/h2-13H,1H3,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63.0n/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))
BDBM28689
PNG
(2-({3-[(6-chloro-1H-indole-1-)sulfonyl]benzene}ami...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3ccc(Cl)cc23)c(c1)C(O)=O
Show InChI InChI=1S/C23H17ClN2O5S/c1-14-5-8-20(19(11-14)23(28)29)25-22(27)16-3-2-4-18(12-16)32(30,31)26-10-9-15-6-7-17(24)13-21(15)26/h2-13H,1H3,(H,25,27)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+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