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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 448.9
BDBM50107767		Wt: 448.9
BDBM50107783		Wt: 438.5
BDBM50107784		Wt: 438.4
BDBM50107796		Wt: 345.4
BDBM50126215
Wt: 443.5
BDBM50126216		Wt: 429.5
BDBM50126218		Wt: 378.4
BDBM50126219		Wt: 442.5
BDBM50126221		Wt: 428.5
BDBM50126190
Wt: 328.3
BDBM50126195		Wt: 277.3
BDBM50126202		Wt: 410.5
BDBM50126204		Wt: 445.5
BDBM50126205		Wt: 350.4
BDBM50126208
Displayed 1 to 15 (of 218 total )  |  Next  |  Last  >>

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

Found 19 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 (Human))		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)


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


(Homo sapiens (Human))		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)


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


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		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)


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


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126216
PNG
(CHEMBL25846 | [4-(9-Propylcarbamoyl-9H-fluoren-9-y...)
Show SMILES CCCNC(=O)C1(CCCCP(=O)(OCC)OCC)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C25H34NO4P/c1-4-18-26-24(27)25(17-11-12-19-31(28,29-5-2)30-6-3)22-15-9-7-13-20(22)21-14-8-10-16-23(21)25/h7-10,13-16H,4-6,11-12,17-19H2,1-3H3,(H,26,27)
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n/an/a 135n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126204
PNG
(2-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-2,3-dih...)
Show SMILES O=C1N(Cc2ccccc12)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H30N2O/c31-28-27-14-8-7-13-24(27)21-30(28)25-15-18-29(19-16-25)20-17-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,25-26H,15-21H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126202
PNG
(9-Allyl-9H-fluorene-9-carboxylic acid ethylamide |...)
Show SMILES CCNC(=O)C1(CC=C)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C19H19NO/c1-3-13-19(18(21)20-4-2)16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h3,5-12H,1,4,13H2,2H3,(H,20,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126205
PNG
(CHEMBL26466 | [3-(6-Ethoxy-benzothiazol-2-ylsulfan...)
Show SMILES CCCCOP(=O)(CCCSc1nc2ccc(OCC)cc2s1)OCCCC
Show InChI InChI=1S/C20H32NO4PS2/c1-4-7-12-24-26(22,25-13-8-5-2)14-9-15-27-20-21-18-11-10-17(23-6-3)16-19(18)28-20/h10-11,16H,4-9,12-15H2,1-3H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126195
PNG
((3-Phenoxy-propyl)-phosphonic acid dibutyl ester |...)
Show SMILES CCCCOP(=O)(CCCOc1ccccc1)OCCCC
Show InChI InChI=1S/C17H29O4P/c1-3-5-14-20-22(18,21-15-6-4-2)16-10-13-19-17-11-8-7-9-12-17/h7-9,11-12H,3-6,10,13-16H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126218
PNG
(CHEMBL28230 | [3-(6-Ethoxy-benzooxazol-2-ylsulfany...)
Show SMILES CCCCOP(=O)(CCCSc1nc2ccc(OCC)cc2o1)OCCCC
Show InChI InChI=1S/C20H32NO5PS/c1-4-7-12-24-27(22,25-13-8-5-2)14-9-15-28-20-21-18-11-10-17(23-6-3)16-19(18)26-20/h10-11,16H,4-9,12-15H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126221
PNG
(CHEMBL27751 | [3-(6-Ethoxy-1-methyl-1H-benzoimidaz...)
Show SMILES CCCCOP(=O)(CCCSc1nc2ccc(OCC)cc2n1C)OCCCC
Show InChI InChI=1S/C21H35N2O4PS/c1-5-8-13-26-28(24,27-14-9-6-2)15-10-16-29-21-22-19-12-11-18(25-7-3)17-20(19)23(21)4/h11-12,17H,5-10,13-16H2,1-4H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126190
PNG
(CHEMBL431505 | [3-(6-Ethoxy-1H-benzoimidazol-2-yls...)
Show SMILES CCCCOP(=O)(CCCSc1nc2ccc(OCC)cc2[nH]1)OCCCC
Show InChI InChI=1S/C20H33N2O4PS/c1-4-7-12-25-27(23,26-13-8-5-2)14-9-15-28-20-21-18-11-10-17(24-6-3)16-19(18)22-20/h10-11,16H,4-9,12-15H2,1-3H3,(H,21,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126215
PNG
(CHEMBL25784 | [3-(Pyridin-4-ylsulfanyl)-propyl]-ph...)
Show SMILES CCCCOP(=O)(CCCSc1ccncc1)OCCCC
Show InChI InChI=1S/C16H28NO3PS/c1-3-5-12-19-21(18,20-13-6-4-2)14-7-15-22-16-8-10-17-11-9-16/h8-11H,3-7,12-15H2,1-2H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126219
PNG
(CHEMBL283407 | [3-(Naphthalen-1-yloxy)-propyl]-pho...)
Show SMILES CCCCOP(=O)(CCCOc1cccc2ccccc12)OCCCC
Show InChI InChI=1S/C21H31O4P/c1-3-5-16-24-26(22,25-17-6-4-2)18-10-15-23-21-14-9-12-19-11-7-8-13-20(19)21/h7-9,11-14H,3-6,10,15-18H2,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)		BDBM50126208
PNG
(CHEMBL286683 | [3-(Thiophen-2-ylsulfanyl)-propyl]-...)
Show SMILES CCCCOP(=O)(CCCSc1cccs1)OCCCC
Show InChI InChI=1S/C15H27O3PS2/c1-3-5-10-17-19(16,18-11-6-4-2)12-8-14-21-15-9-7-13-20-15/h7,9,13H,3-6,8,10-12,14H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against microsomal triglyceride transfer protein (MTP)

Bioorg Med Chem Lett 13: 1337-40 (2003)


BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair