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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 468.4
BDBM50107813
Wt: 454.4
BDBM50107814
Wt: 448.9
BDBM50107767
Wt: 468.9
BDBM50107768
Wt: 468.5
BDBM50107778
Wt: 454.9
BDBM50107782
Wt: 448.9
BDBM50107783
Wt: 438.5
BDBM50107784
Wt: 468.4
BDBM50107788
Wt: 468.4
BDBM50107789
Wt: 470.9
BDBM50107791
Wt: 467.4
BDBM50107795
Wt: 438.4
BDBM50107796
Wt: 454.4
BDBM50107798
Wt: 462.9
BDBM50107800
Displayed 1 to 15 (of 49 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 36 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apolipoprotein B-100


(Homo sapiens)
BDBM50107813
PNG
((S)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107789
PNG
((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as apolipoprotein B production by ELISA


Bioorg Med Chem Lett 19: 328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.096
BindingDB Entry DOI: 10.7270/Q29887ZN
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107798
PNG
(CHEMBL139992 | {5-[(4'-Trifluoromethyl-biphenyl-2-...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C25H21F3N2O3/c1-33-24(32)30-20-12-16-8-11-19(13-17(16)14-20)29-23(31)22-5-3-2-4-21(22)15-6-9-18(10-7-15)25(26,27)28/h2-11,13,20H,12,14H2,1H3,(H,29,31)(H,30,32)/t20-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107800
PNG
(CHEMBL356126 | {2-[(4'-Chloro-6-methyl-biphenyl-2-...)
Show SMILES COC(=O)NC1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(Cl)cc3)cc2CC1
Show InChI InChI=1S/C27H27ClN2O3/c1-17-4-3-5-24(25(17)19-6-11-21(28)12-7-19)26(31)29-23-15-9-18-8-13-22(30-27(32)33-2)14-10-20(18)16-23/h3-7,9,11-12,15-16,22H,8,10,13-14H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 2n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107788
PNG
(CHEMBL143514 | {5-[(4-Methyl-4'-trifluoromethyl-bi...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C)ccc3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-3-10-22(16-4-7-19(8-5-16)26(27,28)29)23(11-15)24(32)30-20-9-6-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107783
PNG
(CHEMBL343837 | {5-[(4'-Chloro-4,6-dimethyl-bipheny...)
Show SMILES COC(=O)NC1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(Cl)cc3)cc2C1
Show InChI InChI=1S/C26H25ClN2O3/c1-15-10-16(2)24(17-4-7-20(27)8-5-17)23(11-15)25(30)28-21-9-6-18-12-22(14-19(18)13-21)29-26(31)32-3/h4-11,13,22H,12,14H2,1-3H3,(H,28,30)(H,29,31)
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n/an/a 3.40n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107813
PNG
((S)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as apolipoprotein B production by ELISA


Bioorg Med Chem Lett 19: 328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.096
BindingDB Entry DOI: 10.7270/Q29887ZN
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107814
PNG
(CHEMBL142731 | {5-[(4'-Trifluoromethyl-biphenyl-2-...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C25H21F3N2O3/c1-33-24(32)30-20-12-16-8-11-19(13-17(16)14-20)29-23(31)22-5-3-2-4-21(22)15-6-9-18(10-7-15)25(26,27)28/h2-11,13,20H,12,14H2,1H3,(H,29,31)(H,30,32)/t20-/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107789
PNG
((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107782
PNG
(4'-Chloro-6-methyl-biphenyl-2-carboxylic acid (2-m...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NS(C)(=O)=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN2O3S/c1-15-4-3-5-22(23(15)16-6-9-19(25)10-7-16)24(28)26-20-11-8-17-12-21(14-18(17)13-20)27-31(2,29)30/h3-11,13,21,27H,12,14H2,1-2H3,(H,26,28)
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n/an/a 6.60n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107784
PNG
(4'-Fluoro-6-methyl-biphenyl-2-carboxylic acid (2-m...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NS(C)(=O)=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H23FN2O3S/c1-15-4-3-5-22(23(15)16-6-9-19(25)10-7-16)24(28)26-20-11-8-17-12-21(14-18(17)13-20)27-31(2,29)30/h3-11,13,21,27H,12,14H2,1-2H3,(H,26,28)
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n/an/a 8.30n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107767
PNG
(CHEMBL358538 | {5-[(4'-Chloro-6-methyl-biphenyl-2-...)
Show SMILES COC(=O)NCC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(Cl)cc3)cc2C1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-4-3-5-23(24(16)18-6-9-21(27)10-7-18)25(30)29-22-11-8-19-12-17(13-20(19)14-22)15-28-26(31)32-2/h3-11,14,17H,12-13,15H2,1-2H3,(H,28,31)(H,29,30)
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n/an/a 8.70n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107778
PNG
(Biphenyl-2-carboxylic acid (2-benzenesulfonylamino...)
Show SMILES O=C(Nc1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H24N2O3S/c31-28(27-14-8-7-13-26(27)20-9-3-1-4-10-20)29-23-16-15-21-17-24(19-22(21)18-23)30-34(32,33)25-11-5-2-6-12-25/h1-16,18,24,30H,17,19H2,(H,29,31)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107791
PNG
(4'-Chloro-6-methoxy-biphenyl-2-carboxylic acid (2-...)
Show SMILES COc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NS(C)(=O)=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-31-22-5-3-4-21(23(22)15-6-9-18(25)10-7-15)24(28)26-19-11-8-16-12-20(14-17(16)13-19)27-32(2,29)30/h3-11,13,20,27H,12,14H2,1-2H3,(H,26,28)
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n/an/a 15n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107768
PNG
(4'-Chloro-6-methyl-biphenyl-2-carboxylic acid [2-(...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(CNS(C)(=O)=O)Cc3c2)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O3S/c1-16-4-3-5-23(24(16)18-6-9-21(26)10-7-18)25(29)28-22-11-8-19-12-17(13-20(19)14-22)15-27-32(2,30)31/h3-11,14,17,27H,12-13,15H2,1-2H3,(H,28,29)
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n/an/a 16n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107798
PNG
(CHEMBL139992 | {5-[(4'-Trifluoromethyl-biphenyl-2-...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C25H21F3N2O3/c1-33-24(32)30-20-12-16-8-11-19(13-17(16)14-20)29-23(31)22-5-3-2-4-21(22)15-6-9-18(10-7-15)25(26,27)28/h2-11,13,20H,12,14H2,1H3,(H,29,31)(H,30,32)/t20-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107789
PNG
((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107791
PNG
(4'-Chloro-6-methoxy-biphenyl-2-carboxylic acid (2-...)
Show SMILES COc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NS(C)(=O)=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-31-22-5-3-4-21(23(22)15-6-9-18(25)10-7-15)24(28)26-19-11-8-16-12-20(14-17(16)13-19)27-32(2,29)30/h3-11,13,20,27H,12,14H2,1-2H3,(H,26,28)
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n/an/a 70n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107813
PNG
((S)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107795
PNG
(4'-Trifluoromethyl-biphenyl-2-carboxylic acid [2-(...)
Show SMILES CN(C)C(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H24F3N3O2/c1-32(2)25(34)31-21-13-17-9-12-20(14-18(17)15-21)30-24(33)23-6-4-3-5-22(23)16-7-10-19(11-8-16)26(27,28)29/h3-12,14,21H,13,15H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 80n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107800
PNG
(CHEMBL356126 | {2-[(4'-Chloro-6-methyl-biphenyl-2-...)
Show SMILES COC(=O)NC1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(Cl)cc3)cc2CC1
Show InChI InChI=1S/C27H27ClN2O3/c1-17-4-3-5-24(25(17)19-6-11-21(28)12-7-19)26(31)29-23-15-9-18-8-13-22(30-27(32)33-2)14-10-20(18)16-23/h3-7,9,11-12,15-16,22H,8,10,13-14H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 80n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107796
PNG
(4'-Trifluoromethyl-biphenyl-2-carboxylic acid (2-a...)
Show SMILES CC(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C25H21F3N2O2/c1-15(31)29-21-12-17-8-11-20(13-18(17)14-21)30-24(32)23-5-3-2-4-22(23)16-6-9-19(10-7-16)25(26,27)28/h2-11,13,21H,12,14H2,1H3,(H,29,31)(H,30,32)
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n/an/a 80n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107767
PNG
(CHEMBL358538 | {5-[(4'-Chloro-6-methyl-biphenyl-2-...)
Show SMILES COC(=O)NCC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(Cl)cc3)cc2C1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-4-3-5-23(24(16)18-6-9-21(27)10-7-18)25(30)29-22-11-8-19-12-17(13-20(19)14-22)15-28-26(31)32-2/h3-11,14,17H,12-13,15H2,1-2H3,(H,28,31)(H,29,30)
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n/an/a 100n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107782
PNG
(4'-Chloro-6-methyl-biphenyl-2-carboxylic acid (2-m...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NS(C)(=O)=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN2O3S/c1-15-4-3-5-22(23(15)16-6-9-19(25)10-7-16)24(28)26-20-11-8-17-12-21(14-18(17)13-20)27-31(2,29)30/h3-11,13,21,27H,12,14H2,1-2H3,(H,26,28)
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n/an/a 100n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107814
PNG
(CHEMBL142731 | {5-[(4'-Trifluoromethyl-biphenyl-2-...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C25H21F3N2O3/c1-33-24(32)30-20-12-16-8-11-19(13-17(16)14-20)29-23(31)22-5-3-2-4-21(22)15-6-9-18(10-7-15)25(26,27)28/h2-11,13,20H,12,14H2,1H3,(H,29,31)(H,30,32)/t20-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107796
PNG
(4'-Trifluoromethyl-biphenyl-2-carboxylic acid (2-a...)
Show SMILES CC(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C25H21F3N2O2/c1-15(31)29-21-12-17-8-11-20(13-18(17)14-21)30-24(32)23-5-3-2-4-22(23)16-6-9-19(10-7-16)25(26,27)28/h2-11,13,21H,12,14H2,1H3,(H,29,31)(H,30,32)
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n/an/a 120n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107783
PNG
(CHEMBL343837 | {5-[(4'-Chloro-4,6-dimethyl-bipheny...)
Show SMILES COC(=O)NC1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(Cl)cc3)cc2C1
Show InChI InChI=1S/C26H25ClN2O3/c1-15-10-16(2)24(17-4-7-20(27)8-5-17)23(11-15)25(30)28-21-9-6-18-12-22(14-19(18)13-21)29-26(31)32-3/h4-11,13,22H,12,14H2,1-3H3,(H,28,30)(H,29,31)
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n/an/a 120n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens)
BDBM50107795
PNG
(4'-Trifluoromethyl-biphenyl-2-carboxylic acid [2-(...)
Show SMILES CN(C)C(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H24F3N3O2/c1-32(2)25(34)31-21-13-17-9-12-20(14-18(17)15-21)30-24(33)23-6-4-3-5-22(23)16-7-10-19(11-8-16)26(27,28)29/h3-12,14,21H,13,15H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 120n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107788
PNG
(CHEMBL143514 | {5-[(4-Methyl-4'-trifluoromethyl-bi...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C)ccc3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-3-10-22(16-4-7-19(8-5-16)26(27,28)29)23(11-15)24(32)30-20-9-6-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107784
PNG
(4'-Fluoro-6-methyl-biphenyl-2-carboxylic acid (2-m...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NS(C)(=O)=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H23FN2O3S/c1-15-4-3-5-22(23(15)16-6-9-19(25)10-7-16)24(28)26-20-11-8-17-12-21(14-18(17)13-20)27-31(2,29)30/h3-11,13,21,27H,12,14H2,1-2H3,(H,26,28)
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n/an/a 170n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107768
PNG
(4'-Chloro-6-methyl-biphenyl-2-carboxylic acid [2-(...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(CNS(C)(=O)=O)Cc3c2)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O3S/c1-16-4-3-5-23(24(16)18-6-9-21(26)10-7-18)25(29)28-22-11-8-19-12-17(13-20(19)14-22)15-27-32(2,30)31/h3-11,14,17,27H,12-13,15H2,1-2H3,(H,28,29)
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n/an/a 500n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens)
BDBM50107778
PNG
(Biphenyl-2-carboxylic acid (2-benzenesulfonylamino...)
Show SMILES O=C(Nc1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H24N2O3S/c31-28(27-14-8-7-13-26(27)20-9-3-1-4-10-20)29-23-16-15-21-17-24(19-22(21)18-23)30-34(32,33)25-11-5-2-6-12-25/h1-16,18,24,30H,17,19H2,(H,29,31)
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n/an/a 710n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


Article DOI: 10.1021/jm010294e
BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50107789
PNG
((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1
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n/an/a 2.48E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay


Bioorg Med Chem Lett 19: 328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.096
BindingDB Entry DOI: 10.7270/Q29887ZN
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50107789
PNG
((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1
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n/an/a 3.42E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay


Bioorg Med Chem Lett 19: 328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.096
BindingDB Entry DOI: 10.7270/Q29887ZN
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50107813
PNG
((S)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m0/s1
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n/an/a 5.09E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay


Bioorg Med Chem Lett 19: 328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.096
BindingDB Entry DOI: 10.7270/Q29887ZN
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50107813
PNG
((S)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m0/s1
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Article
PubMed
n/an/a 7.52E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay


Bioorg Med Chem Lett 19: 328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.096
BindingDB Entry DOI: 10.7270/Q29887ZN
More data for this
Ligand-Target Pair