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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 345.4
BDBM50126215
Wt: 443.5
BDBM50126216
Wt: 483.4
BDBM50126217
Wt: 429.5
BDBM50126218
Wt: 378.4
BDBM50126219
Wt: 442.5
BDBM50126221
Wt: 428.5
BDBM50126190
Wt: 459.6
BDBM50126191
Wt: 328.3
BDBM50126195
Wt: 473.6
BDBM50126199
Wt: 277.3
BDBM50126202
Wt: 410.5
BDBM50126204
Wt: 445.5
BDBM50126205
Wt: 472.5
BDBM50126206
Wt: 350.4
BDBM50126208
Displayed 1 to 15 (of 39 total )  |  Next  |  Last  >>

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

Found 15 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
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)


Article DOI: 10.1016/s0960-894x(03)00116-1
BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)
BDBM50126217
PNG
(CHEMBL26410 | {4-[9-(2,2,2-Trifluoro-ethylcarbamoy...)
Show SMILES CCOP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12)OCC
Show InChI InChI=1S/C24H29F3NO4P/c1-3-31-33(30,32-4-2)16-10-9-15-23(22(29)28-17-24(25,26)27)20-13-7-5-11-18(20)19-12-6-8-14-21(19)23/h5-8,11-14H,3-4,9-10,15-17H2,1-2H3,(H,28,29)
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n/an/a 145n/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)


Article DOI: 10.1016/s0960-894x(03)00116-1
BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)
BDBM50126206
PNG
(9-[4-(Dibutoxy-phosphoryl)-butyl]-9H-fluorene-9-ca...)
Show SMILES CCCCOP(=O)(CCCCC1(C(=O)OC)c2ccccc2-c2ccccc12)OCCCC
Show InChI InChI=1S/C27H37O5P/c1-4-6-19-31-33(29,32-20-7-5-2)21-13-12-18-27(26(28)30-3)24-16-10-8-14-22(24)23-15-9-11-17-25(23)27/h8-11,14-17H,4-7,12-13,18-21H2,1-3H3
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n/an/a 450n/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)


Article DOI: 10.1016/s0960-894x(03)00116-1
BindingDB Entry DOI: 10.7270/Q2NC60K6
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)


Article DOI: 10.1016/s0960-894x(03)00116-1
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)


Article DOI: 10.1016/s0960-894x(03)00116-1
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)


Article DOI: 10.1016/s0960-894x(03)00116-1
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)


Article DOI: 10.1016/s0960-894x(03)00116-1
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)


Article DOI: 10.1016/s0960-894x(03)00116-1
BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)
BDBM50126199
PNG
(CHEMBL26725 | [5-(6-Ethoxy-benzothiazol-2-ylsulfan...)
Show SMILES CCCCOP(=O)(CCCCCSc1nc2ccc(OCC)cc2s1)OCCCC
Show InChI InChI=1S/C22H36NO4PS2/c1-4-7-14-26-28(24,27-15-8-5-2)16-10-9-11-17-29-22-23-20-13-12-19(25-6-3)18-21(20)30-22/h12-13,18H,4-11,14-17H2,1-3H3
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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)


Article DOI: 10.1016/s0960-894x(03)00116-1
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)


Article DOI: 10.1016/s0960-894x(03)00116-1
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)


Article DOI: 10.1016/s0960-894x(03)00116-1
BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Bos taurus)
BDBM50126191
PNG
(CHEMBL26075 | [4-(6-Ethoxy-benzothiazol-2-ylsulfan...)
Show SMILES CCCCOP(=O)(CCCCSc1nc2ccc(OCC)cc2s1)OCCCC
Show InChI InChI=1S/C21H34NO4PS2/c1-4-7-13-25-27(23,26-14-8-5-2)15-9-10-16-28-21-22-19-12-11-18(24-6-3)17-20(19)29-21/h11-12,17H,4-10,13-16H2,1-3H3
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n/an/a 1.20E+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)


Article DOI: 10.1016/s0960-894x(03)00116-1
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)


Article DOI: 10.1016/s0960-894x(03)00116-1
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)


Article DOI: 10.1016/s0960-894x(03)00116-1
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)


Article DOI: 10.1016/s0960-894x(03)00116-1
BindingDB Entry DOI: 10.7270/Q2NC60K6
More data for this
Ligand-Target Pair