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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'jamil' and Initial = 'h'   
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


(Homo sapiens (Human))		BDBM50098322
PNG
(9-(4-{5-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1ccc2n(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc34)cnc2c1NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C42H34F6N4O2/c1-26-16-21-35-37(36(26)51-38(53)32-13-3-2-10-29(32)27-17-19-28(20-18-27)42(46,47)48)50-25-52(35)23-9-8-22-40(39(54)49-24-41(43,44)45)33-14-6-4-11-30(33)31-12-5-7-15-34(31)40/h2-7,10-21,25H,8-9,22-24H2,1H3,(H,49,54)(H,51,53)
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n/an/a 0.0200n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098321
PNG
(9-(4-{2,5-Dimethyl-4-[(4'-trifluoromethyl-biphenyl...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)c(C)ccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C43H36F6N4O2/c1-26-17-22-36-38(37(26)52-39(54)33-14-4-3-11-30(33)28-18-20-29(21-19-28)43(47,48)49)51-27(2)53(36)24-10-9-23-41(40(55)50-25-42(44,45)46)34-15-7-5-12-31(34)32-13-6-8-16-35(32)41/h3-8,11-22H,9-10,23-25H2,1-2H3,(H,50,55)(H,52,54)
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n/an/a 0.0300n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098326
PNG
(9-(4-{2-Isopropyl-4-[(4'-trifluoromethyl-biphenyl-...)
Show SMILES CC(C)c1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-27(2)39-53-38-36(52-40(55)33-15-4-3-12-30(33)28-20-22-29(23-21-28)44(48,49)50)18-11-19-37(38)54(39)25-10-9-24-42(41(56)51-26-43(45,46)47)34-16-7-5-13-31(34)32-14-6-8-17-35(32)42/h3-8,11-23,27H,9-10,24-26H2,1-2H3,(H,51,56)(H,52,55)
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n/an/a 0.0600n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098324
PNG
(9-(4-{2-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C42H34F6N4O2/c1-26-50-37-35(51-38(53)32-14-3-2-11-29(32)27-19-21-28(22-20-27)42(46,47)48)17-10-18-36(37)52(26)24-9-8-23-40(39(54)49-25-41(43,44)45)33-15-6-4-12-30(33)31-13-5-7-16-34(31)40/h2-7,10-22H,8-9,23-25H2,1H3,(H,49,54)(H,51,53)
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n/an/a 0.150n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098325
PNG
(9-(4-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C41H32F6N4O2/c42-40(43,44)24-48-38(53)39(32-14-5-3-11-29(32)30-12-4-6-15-33(30)39)22-7-8-23-51-25-49-36-34(16-9-17-35(36)51)50-37(52)31-13-2-1-10-28(31)26-18-20-27(21-19-26)41(45,46)47/h1-6,9-21,25H,7-8,22-24H2,(H,48,53)(H,50,52)
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n/an/a 0.240n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098320
PNG
(9-(4-{4-[(4''-Trifluoromethyl-biphenyl-2-carbonyl)...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
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n/an/a 0.800n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098321
PNG
(9-(4-{2,5-Dimethyl-4-[(4'-trifluoromethyl-biphenyl...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)c(C)ccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C43H36F6N4O2/c1-26-17-22-36-38(37(26)52-39(54)33-14-4-3-11-30(33)28-18-20-29(21-19-28)43(47,48)49)51-27(2)53(36)24-10-9-23-41(40(55)50-25-42(44,45)46)34-15-7-5-12-31(34)32-13-6-8-16-35(32)41/h3-8,11-22H,9-10,23-25H2,1-2H3,(H,50,55)(H,52,54)
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098324
PNG
(9-(4-{2-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C42H34F6N4O2/c1-26-50-37-35(51-38(53)32-14-3-2-11-29(32)27-19-21-28(22-20-27)42(46,47)48)17-10-18-36(37)52(26)24-9-8-23-40(39(54)49-25-41(43,44)45)33-15-6-4-12-30(33)31-13-5-7-16-34(31)40/h2-7,10-22H,8-9,23-25H2,1H3,(H,49,54)(H,51,53)
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098322
PNG
(9-(4-{5-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1ccc2n(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc34)cnc2c1NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C42H34F6N4O2/c1-26-16-21-35-37(36(26)51-38(53)32-13-3-2-10-29(32)27-17-19-28(20-18-27)42(46,47)48)50-25-52(35)23-9-8-22-40(39(54)49-24-41(43,44)45)33-14-6-4-11-30(33)31-12-5-7-15-34(31)40/h2-7,10-21,25H,8-9,22-24H2,1H3,(H,49,54)(H,51,53)
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098323
PNG
(9-(4-{2-Propyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES CCCc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-2-12-38-53-39-36(52-40(55)33-16-4-3-13-30(33)28-21-23-29(24-22-28)44(48,49)50)19-11-20-37(39)54(38)26-10-9-25-42(41(56)51-27-43(45,46)47)34-17-7-5-14-31(34)32-15-6-8-18-35(32)42/h3-8,11,13-24H,2,9-10,12,25-27H2,1H3,(H,51,56)(H,52,55)
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n/an/a 2n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098326
PNG
(9-(4-{2-Isopropyl-4-[(4'-trifluoromethyl-biphenyl-...)
Show SMILES CC(C)c1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-27(2)39-53-38-36(52-40(55)33-15-4-3-12-30(33)28-20-22-29(23-21-28)44(48,49)50)18-11-19-37(38)54(39)25-10-9-24-42(41(56)51-26-43(45,46)47)34-16-7-5-13-31(34)32-14-6-8-17-35(32)42/h3-8,11-23,27H,9-10,24-26H2,1-2H3,(H,51,56)(H,52,55)
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n/an/a 4n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098325
PNG
(9-(4-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C41H32F6N4O2/c42-40(43,44)24-48-38(53)39(32-14-5-3-11-29(32)30-12-4-6-15-33(30)39)22-7-8-23-51-25-49-36-34(16-9-17-35(36)51)50-37(52)31-13-2-1-10-28(31)26-18-20-27(21-19-26)41(45,46)47/h1-6,9-21,25H,7-8,22-24H2,(H,48,53)(H,50,52)
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n/an/a 5n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098320
PNG
(9-(4-{4-[(4''-Trifluoromethyl-biphenyl-2-carbonyl)...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
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n/an/a 8n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein using triglyceride transfer assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098327
PNG
(9-(3-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C40H30F6N4O2/c41-39(42,43)23-47-37(52)38(31-13-5-3-10-28(31)29-11-4-6-14-32(29)38)21-8-22-50-24-48-35-33(15-7-16-34(35)50)49-36(51)30-12-2-1-9-27(30)25-17-19-26(20-18-25)40(44,45)46/h1-7,9-20,24H,8,21-23H2,(H,47,52)(H,49,51)
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n/an/a 10n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50209010
PNG
(3,5-dichloro-2-hydroxy-N-(4-methoxy-biphenyl-3-yl)...)
Show SMILES COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C19H15Cl2NO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50036210
PNG
((2S,3S)-3-Carboxy-2,3-dihydroxy-pentanedioic acid ...)
Show SMILES O[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)/t3-,6+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50209015
PNG
(3,5-dichloro-2-hydroxy-N-(2,4,6-triphenylphenyl)be...)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H21Cl2NO3S/c31-24-18-27(32)30(34)28(19-24)37(35,36)33-29-25(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-26(29)22-14-8-3-9-15-22/h1-19,33-34H
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n/an/a 190n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50209014
PNG
((Z)-3-phenylallyl 2-(3,5-dichloro-2-hydroxyphenyls...)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)OC\C=C/c1ccccc1
Show InChI InChI=1S/C22H17Cl2NO5S/c23-16-13-18(24)21(26)20(14-16)31(28,29)25-19-11-5-4-10-17(19)22(27)30-12-6-9-15-7-2-1-3-8-15/h1-11,13-14,25-26H,12H2/b9-6-
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n/an/a 340n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50209009
PNG
(2-isopropyl-5-methylcyclohexyl 2-(3,5-dichloro-2-h...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O |w:9.10,3.2,6.6|
Show InChI InChI=1S/C23H27Cl2NO5S/c1-13(2)16-9-8-14(3)10-20(16)31-23(28)17-6-4-5-7-19(17)26-32(29,30)21-12-15(24)11-18(25)22(21)27/h4-7,11-14,16,20,26-27H,8-10H2,1-3H3
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n/an/a 370n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50209018
PNG
(3,5-dichloro-N-(3,5-di-tert-butylphenyl)-2-hydroxy...)
Show SMILES CC(C)(C)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc(c1)C(C)(C)C
Show InChI InChI=1S/C20H25Cl2NO3S/c1-19(2,3)12-7-13(20(4,5)6)9-15(8-12)23-27(25,26)17-11-14(21)10-16(22)18(17)24/h7-11,23-24H,1-6H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50066683
PNG
((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50209013
PNG
(3,5-dichloro-N-(3,5-dichlorophenyl)-2-hydroxybenze...)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C12H7Cl4NO3S/c13-6-1-7(14)3-9(2-6)17-21(19,20)11-5-8(15)4-10(16)12(11)18/h1-5,17-18H
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n/an/a 2.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50209008
PNG
(3,5-dichloro-N-(2,5-di-tert-butylphenyl)-2-hydroxy...)
Show SMILES CC(C)(C)c1ccc(c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1)C(C)(C)C
Show InChI InChI=1S/C20H25Cl2NO3S/c1-19(2,3)12-7-8-14(20(4,5)6)16(9-12)23-27(25,26)17-11-13(21)10-15(22)18(17)24/h7-11,23-24H,1-6H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))		BDBM50209010
PNG
(3,5-dichloro-2-hydroxy-N-(4-methoxy-biphenyl-3-yl)...)
Show SMILES COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C19H15Cl2NO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3
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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
Inhibition of human ACC1

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50209012
PNG
(3,5-dichloro-N-(4-hexylphenyl)-2-hydroxybenzenesul...)
Show SMILES CCCCCCc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C18H21Cl2NO3S/c1-2-3-4-5-6-13-7-9-15(10-8-13)21-25(23,24)17-12-14(19)11-16(20)18(17)22/h7-12,21-22H,2-6H2,1H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50209007
PNG
(3,5-dichloro-N-(3,5-difluorophenyl)-2-hydroxybenze...)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cc(F)cc(F)c1
Show InChI InChI=1S/C12H7Cl2F2NO3S/c13-6-1-10(14)12(18)11(2-6)21(19,20)17-9-4-7(15)3-8(16)5-9/h1-5,17-18H
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n/an/a 7.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50209017
PNG
(3,5-dichloro-2-hydroxy-N-(3-phenoxyphenyl)benzenes...)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C18H13Cl2NO4S/c19-12-9-16(20)18(22)17(10-12)26(23,24)21-13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-11,21-22H
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n/an/a 8.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50209011
PNG
(CHEMBL250744 | N-(4-(3,5-dichloro-2-hydroxyphenyls...)
Show SMILES CN(C(C)=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C15H14Cl2N2O4S/c1-9(20)19(2)12-5-3-11(4-6-12)18-24(22,23)14-8-10(16)7-13(17)15(14)21/h3-8,18,21H,1-2H3
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n/an/a 1.09E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM50209010
PNG
(3,5-dichloro-2-hydroxy-N-(4-methoxy-biphenyl-3-yl)...)
Show SMILES COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C19H15Cl2NO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3
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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
Inhibition of human ACC2

Bioorg Med Chem Lett 17: 3208-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.017
BindingDB Entry DOI: 10.7270/Q27P8Z26
More data for this
Ligand-Target Pair