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BDBM28679 5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahydroisoquinoline-2-)sulfonyl]benzene}amido)benzoic acid::Anthranilic acid deriv., 18

SMILES: Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O

InChI Key: InChIKey=XGTAJDCAGLGDJI-UHFFFAOYSA-N

Data: 9 IC50  1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 28679   
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))		BDBM28679
PNG
(5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahy...)
Show SMILES Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O5S/c1-14-20-13-28(10-9-15(20)5-7-21(14)26)34(32,33)18-4-2-3-16(11-18)23(29)27-22-8-6-17(25)12-19(22)24(30)31/h2-8,11-12H,9-10,13H2,1H3,(H,27,29)(H,30,31)
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n/an/a 16n/a 316n/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))		BDBM28679
PNG
(5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahy...)
Show SMILES Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O5S/c1-14-20-13-28(10-9-15(20)5-7-21(14)26)34(32,33)18-4-2-3-16(11-18)23(29)27-22-8-6-17(25)12-19(22)24(30)31/h2-8,11-12H,9-10,13H2,1H3,(H,27,29)(H,30,31)
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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))		BDBM28679
PNG
(5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahy...)
Show SMILES Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O5S/c1-14-20-13-28(10-9-15(20)5-7-21(14)26)34(32,33)18-4-2-3-16(11-18)23(29)27-22-8-6-17(25)12-19(22)24(30)31/h2-8,11-12H,9-10,13H2,1H3,(H,27,29)(H,30,31)
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n/an/a 5.01E+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))		BDBM28679
PNG
(5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahy...)
Show SMILES Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O5S/c1-14-20-13-28(10-9-15(20)5-7-21(14)26)34(32,33)18-4-2-3-16(11-18)23(29)27-22-8-6-17(25)12-19(22)24(30)31/h2-8,11-12H,9-10,13H2,1H3,(H,27,29)(H,30,31)
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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))		BDBM28679
PNG
(5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahy...)
Show SMILES Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O5S/c1-14-20-13-28(10-9-15(20)5-7-21(14)26)34(32,33)18-4-2-3-16(11-18)23(29)27-22-8-6-17(25)12-19(22)24(30)31/h2-8,11-12H,9-10,13H2,1H3,(H,27,29)(H,30,31)
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n/an/a 5.01E+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))		BDBM28679
PNG
(5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahy...)
Show SMILES Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O5S/c1-14-20-13-28(10-9-15(20)5-7-21(14)26)34(32,33)18-4-2-3-16(11-18)23(29)27-22-8-6-17(25)12-19(22)24(30)31/h2-8,11-12H,9-10,13H2,1H3,(H,27,29)(H,30,31)
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n/an/a 5.01E+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))		BDBM28679
PNG
(5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahy...)
Show SMILES Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O5S/c1-14-20-13-28(10-9-15(20)5-7-21(14)26)34(32,33)18-4-2-3-16(11-18)23(29)27-22-8-6-17(25)12-19(22)24(30)31/h2-8,11-12H,9-10,13H2,1H3,(H,27,29)(H,30,31)
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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))		BDBM28679
PNG
(5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahy...)
Show SMILES Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O5S/c1-14-20-13-28(10-9-15(20)5-7-21(14)26)34(32,33)18-4-2-3-16(11-18)23(29)27-22-8-6-17(25)12-19(22)24(30)31/h2-8,11-12H,9-10,13H2,1H3,(H,27,29)(H,30,31)
PDB

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n/an/a 16n/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))		BDBM28679
PNG
(5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahy...)
Show SMILES Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O5S/c1-14-20-13-28(10-9-15(20)5-7-21(14)26)34(32,33)18-4-2-3-16(11-18)23(29)27-22-8-6-17(25)12-19(22)24(30)31/h2-8,11-12H,9-10,13H2,1H3,(H,27,29)(H,30,31)
PDB

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PubMed
n/an/a 16n/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