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Compile Data Set for Download or QSAR

Found 199 hits Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase'   
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
ATP-citrate synthase


(Rattus norvegicus)
BDBM50469147
PNG
(CHEMBL4281691)
Show SMILES CC1=CC(O)=C2C(=O)c3c(O)c(ccc3OC2(C)C1=O)-c1ccc2OC3(C)C(OC(=O)CC(O)=O)C4(C)OC4C(O)=C3C(=O)c2c1O
Show InChI InChI=1S/C33H26O14/c1-11-9-14(34)21-25(40)19-15(45-31(21,2)28(11)43)7-5-12(23(19)38)13-6-8-16-20(24(13)39)26(41)22-27(42)29-33(4,47-29)30(32(22,3)46-16)44-18(37)10-17(35)36/h5-9,29-30,34,38-39,42H,10H2,1-4H3,(H,35,36)
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n/an/a 4n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY


Eur J Med Chem 157: 1276-1291 (2018)

More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50469153
PNG
(CHEMBL4292319)
Show SMILES CC12OC1C(O)=C1C(=O)c3c(O)c(ccc3OC1(C)C2O)-c1ccc2OC3(C)C(OC(=O)CC(O)=O)C4(C)OC4C(O)=C3C(=O)c2c1O
Show InChI InChI=1S/C33H28O15/c1-30-18(24(41)26-32(3,47-26)28(30)43)22(39)16-12(45-30)7-5-10(20(16)37)11-6-8-13-17(21(11)38)23(40)19-25(42)27-33(4,48-27)29(31(19,2)46-13)44-15(36)9-14(34)35/h5-8,26-29,37-38,41-43H,9H2,1-4H3,(H,34,35)
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n/an/a 6.40n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY


Eur J Med Chem 157: 1276-1291 (2018)

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


(Rattus norvegicus)
BDBM50394674
PNG
(CHEMBL2165254)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3Cc2c1
Show InChI InChI=1S/C15H11ClO4/c1-6-2-7-4-8-5-10(18)13(16)15(20)12(8)14(19)11(7)9(17)3-6/h2-3,5,17-18,20H,4H2,1H3
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n/an/a 283n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY by MDH enzyme coupled assay


Eur J Med Chem 157: 1276-1291 (2018)

More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50394674
PNG
(CHEMBL2165254)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3Cc2c1
Show InChI InChI=1S/C15H11ClO4/c1-6-2-7-4-8-5-10(18)13(16)15(20)12(8)14(19)11(7)9(17)3-6/h2-3,5,17-18,20H,4H2,1H3
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n/an/a 283n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat liver ATP citrate lyase using tripotassium citrate as substrate by malate dehydrogenase-based oxaloacetate reduction assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50394674
PNG
(CHEMBL2165254)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3Cc2c1
Show InChI InChI=1S/C15H11ClO4/c1-6-2-7-4-8-5-10(18)13(16)15(20)12(8)14(19)11(7)9(17)3-6/h2-3,5,17-18,20H,4H2,1H3
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n/an/a 283n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY


J Med Chem 54: 5615-38 (2011)


Article DOI: 10.1021/jm2005805
BindingDB Entry DOI: 10.7270/Q21N8261
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
Show InChI InChI=1/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))
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 377n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate by ADP-Glo luminescence assay


Bioorg Med Chem Lett 27: 929-935 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.001
BindingDB Entry DOI: 10.7270/Q2MP55HS
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 442n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
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))
BDBM50234009
PNG
(CHEMBL3261914)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(Br)c(O)c(Br)c3C(=O)c2c1
Show InChI InChI=1S/C15H8Br2O5/c1-4-2-5-7(6(18)3-4)13(20)9-8(12(5)19)10(16)15(22)11(17)14(9)21/h2-3,18,21-22H,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234013
PNG
(CHEMBL4084819)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)c(Cl)c3Cc2c1
Show InChI InChI=1S/C15H11ClO4/c1-6-2-7-4-8-13(10(18)5-11(19)14(8)16)15(20)12(7)9(17)3-6/h2-3,5,17-19H,4H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234436
PNG
(CHEMBL4094117)
Show SMILES CCCc1cc2c(cc(=O)oc2cc1OCc1cc(oc1C)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C25H22O6/c1-3-7-17-10-20-19(16-8-5-4-6-9-16)12-24(26)31-22(20)13-21(17)29-14-18-11-23(25(27)28)30-15(18)2/h4-6,8-13H,3,7,14H2,1-2H3,(H,27,28)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate by ADP-Glo luminescence assay


Bioorg Med Chem Lett 27: 929-935 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.001
BindingDB Entry DOI: 10.7270/Q2MP55HS
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
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


(Rattus norvegicus)
BDBM50394675
PNG
(PURPURONE)
Show SMILES Oc1ccc(CCn2c3=C(C(=O)c4cc(O)c(O)cc4-c3c3-c4cc(O)c(O)cc4C(=O)C(c4ccc(O)c(O)c4)=c23)c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C40H27NO11/c42-20-5-1-17(2-6-20)9-10-41-37-33(18-3-7-25(43)27(45)11-18)39(51)23-15-31(49)29(47)13-21(23)35(37)36-22-14-30(48)32(50)16-24(22)40(52)34(38(36)41)19-4-8-26(44)28(46)12-19/h1-8,11-16,42-50H,9-10H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY


J Med Chem 54: 5615-38 (2011)


Article DOI: 10.1021/jm2005805
BindingDB Entry DOI: 10.7270/Q21N8261
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50394675
PNG
(PURPURONE)
Show SMILES Oc1ccc(CCn2c3=C(C(=O)c4cc(O)c(O)cc4-c3c3-c4cc(O)c(O)cc4C(=O)C(c4ccc(O)c(O)c4)=c23)c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C40H27NO11/c42-20-5-1-17(2-6-20)9-10-41-37-33(18-3-7-25(43)27(45)11-18)39(51)23-15-31(49)29(47)13-21(23)35(37)36-22-14-30(48)32(50)16-24(22)40(52)34(38(36)41)19-4-8-26(44)28(46)12-19/h1-8,11-16,42-50H,9-10H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of ACLY (unknown origin)


Eur J Med Chem 157: 1276-1291 (2018)

More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234008
PNG
(CHEMBL3261915)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(I)c(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H9IO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,1H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
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))
BDBM50234010
PNG
(CHEMBL4065663)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)c(Cl)c3C(=O)c2c1
Show InChI InChI=1S/C15H9ClO5/c1-5-2-6-10(7(17)3-5)15(21)11-8(18)4-9(19)13(16)12(11)14(6)20/h2-4,17-19H,1H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
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
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234438
PNG
(CHEMBL4072433)
Show SMILES Cc1oc(cc1COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(O)=O
Show InChI InChI=1S/C24H20O6/c1-14-19-9-8-18(28-13-17-11-22(23(25)26)29-15(17)2)12-21(19)30-24(27)20(14)10-16-6-4-3-5-7-16/h3-9,11-12H,10,13H2,1-2H3,(H,25,26)
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n/an/a 1.19E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate by ADP-Glo luminescence assay


Bioorg Med Chem Lett 27: 929-935 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.001
BindingDB Entry DOI: 10.7270/Q2MP55HS
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234016
PNG
(CHEMBL4093300)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H9ClO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,1H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234012
PNG
(CHEMBL4062121)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(-c4cnn(C)c4)c(O)cc3C(=O)c2c1
Show InChI InChI=1S/C19H14N2O5/c1-8-3-10-15(12(22)4-8)19(26)16-11(17(10)24)5-13(23)14(18(16)25)9-6-20-21(2)7-9/h3-7,22-23,25H,1-2H3
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n/an/a 1.33E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234437
PNG
(CHEMBL4061755)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1cc2c(C(O)=O)c(C)oc2c2ccccc12
Show InChI InChI=1S/C22H19NO5S/c1-3-14-8-10-15(11-9-14)29(26,27)23-19-12-18-20(22(24)25)13(2)28-21(18)17-7-5-4-6-16(17)19/h4-12,23H,3H2,1-2H3,(H,24,25)
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n/an/a 1.38E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate by ADP-Glo luminescence assay


Bioorg Med Chem Lett 27: 929-935 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.001
BindingDB Entry DOI: 10.7270/Q2MP55HS
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234006
PNG
(CHEMBL4104369)
Show SMILES COc1ccc(cc1)-c1c(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C22H16O6/c1-10-7-13-18(15(23)8-10)22(27)19-14(20(13)25)9-16(24)17(21(19)26)11-3-5-12(28-2)6-4-11/h3-9,23-24,26H,1-2H3
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n/an/a 1.88E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234011
PNG
(CHEMBL4091629)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(c(O)cc3C(=O)c2c1)-c1cccnc1
Show InChI InChI=1S/C20H13NO5/c1-9-5-11-16(13(22)6-9)20(26)17-12(18(11)24)7-14(23)15(19(17)25)10-3-2-4-21-8-10/h2-8,22-23,25H,1H3
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n/an/a 2.11E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234007
PNG
(CHEMBL4103478)
Show SMILES COc1cccc(c1)-c1c(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C22H16O6/c1-10-6-13-18(15(23)7-10)22(27)19-14(20(13)25)9-16(24)17(21(19)26)11-4-3-5-12(8-11)28-2/h3-9,23-24,26H,1-2H3
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n/an/a 2.12E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234017
PNG
(CHEMBL4083854)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(c(O)c(-c4cccnc4)c3C(=O)c2c1)-c1cccnc1
Show InChI InChI=1S/C25H16N2O5/c1-12-8-15-19(16(28)9-12)25(32)21-20(22(15)29)17(13-4-2-6-26-10-13)23(30)18(24(21)31)14-5-3-7-27-11-14/h2-11,28,30-31H,1H3
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n/an/a 2.35E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234018
PNG
(CHEMBL4099000)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c4CN(COc4cc3C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C23H17NO5/c1-12-7-14-19(17(25)8-12)23(28)20-15(21(14)26)9-18-16(22(20)27)10-24(11-29-18)13-5-3-2-4-6-13/h2-9,25,27H,10-11H2,1H3
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n/an/a 2.58E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234014
PNG
(CHEMBL4072039)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c4CN(COc4cc3C(=O)c2c1)c1ccc2ocnc2c1
Show InChI InChI=1S/C24H16N2O6/c1-11-4-13-20(17(27)5-11)24(30)21-14(22(13)28)7-19-15(23(21)29)8-26(10-32-19)12-2-3-18-16(6-12)25-9-31-18/h2-7,9,27,29H,8,10H2,1H3
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n/an/a 2.97E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234015
PNG
(CHEMBL4095719)
Show SMILES Cc1cccc(c1)-c1c(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C22H16O5/c1-10-4-3-5-12(6-10)17-16(24)9-14-19(21(17)26)22(27)18-13(20(14)25)7-11(2)8-15(18)23/h3-9,23-24,26H,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
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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150n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY


J Med Chem 54: 5615-38 (2011)


Article DOI: 10.1021/jm2005805
BindingDB Entry DOI: 10.7270/Q21N8261
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATP-citrate synthase


(Rattus norvegicus)
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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150n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate


J Med Chem 38: 537-43 (1995)


Article DOI: 10.1021/jm00003a016
BindingDB Entry DOI: 10.7270/Q21Z43GM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50066694
PNG
((S)-2-[(R)-7-(3-Chloro-9H-fluoren-9-yl)-2-hydroxy-...)
Show SMILES O[C@H](CCCCCC1c2ccccc2-c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H27ClO6/c25-15-10-11-20-18(17-8-4-5-9-19(17)21(20)12-15)7-3-1-2-6-16(26)13-24(31,23(29)30)14-22(27)28/h4-5,8-12,16,18,26,31H,1-3,6-7,13-14H2,(H,27,28)(H,29,30)/t16-,18?,24+/m1/s1
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220n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of human ACLY


Eur J Med Chem 157: 1276-1291 (2018)

More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50394668
PNG
(CHEMBL2163366)
Show SMILES O[C@@H](CCCCCC1c2ccccc2-c2cc(Cl)ccc12)C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C24H27ClO6/c25-15-10-11-20-18(17-8-4-5-9-19(17)21(20)12-15)7-3-1-2-6-16(26)13-24(31,23(29)30)14-22(27)28/h4-5,8-12,16,18,26,31H,1-3,6-7,13-14H2,(H,27,28)(H,29,30)/t16-,18?,24+/s2
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220n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


J Med Chem 54: 5615-38 (2011)


Article DOI: 10.1021/jm2005805
BindingDB Entry DOI: 10.7270/Q21N8261
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50066694
PNG
((S)-2-[(R)-7-(3-Chloro-9H-fluoren-9-yl)-2-hydroxy-...)
Show SMILES O[C@H](CCCCCC1c2ccccc2-c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H27ClO6/c25-15-10-11-20-18(17-8-4-5-9-19(17)21(20)12-15)7-3-1-2-6-16(26)13-24(31,23(29)30)14-22(27)28/h4-5,8-12,16,18,26,31H,1-3,6-7,13-14H2,(H,27,28)(H,29,30)/t16-,18?,24+/m1/s1
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220n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme


J Med Chem 41: 3582-95 (1998)


Article DOI: 10.1021/jm980091z
BindingDB Entry DOI: 10.7270/Q2B8577D
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50066677
PNG
((S)-2-{(R)-8-[4-Chloro-2-(3,4-dimethyl-pyrrol-1-yl...)
Show SMILES Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H32ClNO6/c1-16-14-26(15-17(16)2)21-11-19(25)10-9-18(21)7-5-3-4-6-8-20(27)12-24(32,23(30)31)13-22(28)29/h9-11,14-15,20,27,32H,3-8,12-13H2,1-2H3,(H,28,29)(H,30,31)/t20-,24+/m1/s1
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300n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme


J Med Chem 41: 3582-95 (1998)


Article DOI: 10.1021/jm980091z
BindingDB Entry DOI: 10.7270/Q2B8577D
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50394671
PNG
(CHEMBL2165260)
Show SMILES Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@H](O)C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C24H32ClNO6/c1-16-14-26(15-17(16)2)21-11-19(25)10-9-18(21)7-5-3-4-6-8-20(27)12-24(32,23(30)31)13-22(28)29/h9-11,14-15,20,27,32H,3-8,12-13H2,1-2H3,(H,28,29)(H,30,31)/t20-,24+/s2
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300n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


J Med Chem 54: 5615-38 (2011)


Article DOI: 10.1021/jm2005805
BindingDB Entry DOI: 10.7270/Q21N8261
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50066677
PNG
((S)-2-{(R)-8-[4-Chloro-2-(3,4-dimethyl-pyrrol-1-yl...)
Show SMILES Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H32ClNO6/c1-16-14-26(15-17(16)2)21-11-19(25)10-9-18(21)7-5-3-4-6-8-20(27)12-24(32,23(30)31)13-22(28)29/h9-11,14-15,20,27,32H,3-8,12-13H2,1-2H3,(H,28,29)(H,30,31)/t20-,24+/m1/s1
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300n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme


J Med Chem 41: 3582-95 (1998)


Article DOI: 10.1021/jm980091z
BindingDB Entry DOI: 10.7270/Q2B8577D
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50394671
PNG
(CHEMBL2165260)
Show SMILES Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@H](O)C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C24H32ClNO6/c1-16-14-26(15-17(16)2)21-11-19(25)10-9-18(21)7-5-3-4-6-8-20(27)12-24(32,23(30)31)13-22(28)29/h9-11,14-15,20,27,32H,3-8,12-13H2,1-2H3,(H,28,29)(H,30,31)/t20-,24+/s2
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340n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


J Med Chem 54: 5615-38 (2011)


Article DOI: 10.1021/jm2005805
BindingDB Entry DOI: 10.7270/Q21N8261
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50066673
PNG
((S)-2-[(R)-7-(5-Chloro-2-phenyl-indol-1-yl)-2-hydr...)
Show SMILES O[C@H](CCCCCn1c(cc2cc(Cl)ccc12)-c1ccccc1)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H28ClNO6/c26-19-10-11-21-18(13-19)14-22(17-7-3-1-4-8-17)27(21)12-6-2-5-9-20(28)15-25(33,24(31)32)16-23(29)30/h1,3-4,7-8,10-11,13-14,20,28,33H,2,5-6,9,12,15-16H2,(H,29,30)(H,31,32)/t20-,25+/m1/s1
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370n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme


J Med Chem 41: 3582-95 (1998)


Article DOI: 10.1021/jm980091z
BindingDB Entry DOI: 10.7270/Q2B8577D
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50394670
PNG
(CHEMBL2165263)
Show SMILES O[C@@H](CCCCCn1c(cc2cc(Cl)ccc12)-c1ccccc1)C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C25H28ClNO6/c26-19-10-11-21-18(13-19)14-22(17-7-3-1-4-8-17)27(21)12-6-2-5-9-20(28)15-25(33,24(31)32)16-23(29)30/h1,3-4,7-8,10-11,13-14,20,28,33H,2,5-6,9,12,15-16H2,(H,29,30)(H,31,32)/t20-,25+/s2
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370n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


J Med Chem 54: 5615-38 (2011)


Article DOI: 10.1021/jm2005805
BindingDB Entry DOI: 10.7270/Q21N8261
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50066676
PNG
((2S,3R)-2-[(R)-8-(2,4-Dichloro-phenyl)-2-hydroxy-o...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)([C@@H](O)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O7/c19-12-8-7-11(14(20)9-12)5-3-1-2-4-6-13(21)10-18(27,17(25)26)15(22)16(23)24/h7-9,13,15,21-22,27H,1-6,10H2,(H,23,24)(H,25,26)/t13-,15+,18+/m1/s1
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550n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme


J Med Chem 41: 3582-95 (1998)


Article DOI: 10.1021/jm980091z
BindingDB Entry DOI: 10.7270/Q2B8577D
More data for this
Ligand-Target Pair
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