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BDBM28676 5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoquinoline-2-)sulfonyl]benzene}amido)benzoic acid::Anthranilic acid deriv., 15

SMILES: COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O

InChI Key: InChIKey=FYIPIRTZBJMPOQ-UHFFFAOYSA-N

Data: 9 IC50  1 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 9 hits for monomerid = 28676   
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))		BDBM28676
PNG
(5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-19-7-5-17-14-27(10-9-15(17)11-19)34(31,32)20-4-2-3-16(12-20)23(28)26-22-8-6-18(25)13-21(22)24(29)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 10n/a 794n/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))		BDBM28676
PNG
(5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-19-7-5-17-14-27(10-9-15(17)11-19)34(31,32)20-4-2-3-16(12-20)23(28)26-22-8-6-18(25)13-21(22)24(29)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 1.00E+4n/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))		BDBM28676
PNG
(5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-19-7-5-17-14-27(10-9-15(17)11-19)34(31,32)20-4-2-3-16(12-20)23(28)26-22-8-6-18(25)13-21(22)24(29)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 6.31E+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))		BDBM28676
PNG
(5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-19-7-5-17-14-27(10-9-15(17)11-19)34(31,32)20-4-2-3-16(12-20)23(28)26-22-8-6-18(25)13-21(22)24(29)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 1.00E+4n/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


(Homo sapiens (Human))		BDBM28676
PNG
(5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-19-7-5-17-14-27(10-9-15(17)11-19)34(31,32)20-4-2-3-16(12-20)23(28)26-22-8-6-18(25)13-21(22)24(29)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 6.31E+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))		BDBM28676
PNG
(5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-19-7-5-17-14-27(10-9-15(17)11-19)34(31,32)20-4-2-3-16(12-20)23(28)26-22-8-6-18(25)13-21(22)24(29)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 6.31E+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))		BDBM28676
PNG
(5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-19-7-5-17-14-27(10-9-15(17)11-19)34(31,32)20-4-2-3-16(12-20)23(28)26-22-8-6-18(25)13-21(22)24(29)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 1.00E+4n/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))		BDBM28676
PNG
(5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-19-7-5-17-14-27(10-9-15(17)11-19)34(31,32)20-4-2-3-16(12-20)23(28)26-22-8-6-18(25)13-21(22)24(29)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)(H,29,30)
PDB

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UniChem

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PubMed
n/an/a 10n/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 delta


(Homo sapiens (Human))		BDBM28676
PNG
(5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-19-7-5-17-14-27(10-9-15(17)11-19)34(31,32)20-4-2-3-16(12-20)23(28)26-22-8-6-18(25)13-21(22)24(29)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)(H,29,30)
PDB

UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 10n/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