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Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' AND taxid = 10116   
Target
(Institution)
LigandTarget
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)
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


Citation and Details
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



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)

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


(Rattus norvegicus)
BDBM50394678
PNG
(CHEMBL2165261)
Show SMILES OC(=O)C[C@](O)(C(O)=O)C(F)(F)C(O)=O
Show InChI InChI=1S/C6H6F2O7/c7-6(8,4(13)14)5(15,3(11)12)1-2(9)10/h15H,1H2,(H,9,10)(H,11,12)(H,13,14)/t5-/m0/s1
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700n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
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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700n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity was tested agianst rat ATP-Citrate Lyase (ACL) enzyme


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
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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1.00E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
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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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity was tested agianst rat ATP-Citrate Lyase (ACL) enzyme


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053000
PNG
(2-[8-(2,4-Dichloro-phenyl)-2-oxo-octyl]-2-hydroxy-...)
Show SMILES OC(=O)CC(O)(CC(=O)CCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C18H22Cl2O6/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/h7-9,26H,1-6,10-11H2,(H,22,23)(H,24,25)
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1.20E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50066684
PNG
((S)-2-[8-(2,4-Dichloro-phenyl)-2-oxo-octyl]-2-hydr...)
Show SMILES OC(=O)C[C@@](O)(CC(=O)CCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C18H22Cl2O6/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/h7-9,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t18-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity was tested agianst rat ATP-Citrate Lyase (ACL) enzyme


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053001
PNG
(2-[6-(2,4-Dichloro-phenyl)-hexylsulfanylmethyl]-su...)
Show SMILES OC(=O)CC(CSCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C17H22Cl2O4S/c18-14-7-6-12(15(19)10-14)5-3-1-2-4-8-24-11-13(17(22)23)9-16(20)21/h6-7,10,13H,1-5,8-9,11H2,(H,20,21)(H,22,23)
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2.60E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50052995
PNG
(2-{2-[5-(2,4-Dichloro-phenyl)-pentylsulfanyl]-ethy...)
Show SMILES OC(=O)CC(O)(CCSCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C17H22Cl2O5S/c18-13-6-5-12(14(19)10-13)4-2-1-3-8-25-9-7-17(24,16(22)23)11-15(20)21/h5-6,10,24H,1-4,7-9,11H2,(H,20,21)(H,22,23)
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2.90E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50052989
PNG
(2-[8-(2,4-Dichloro-phenyl)-octyl]-2-hydroxy-succin...)
Show SMILES OC(=O)CC(O)(CCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C18H24Cl2O5/c19-14-9-8-13(15(20)11-14)7-5-3-1-2-4-6-10-18(25,17(23)24)12-16(21)22/h8-9,11,25H,1-7,10,12H2,(H,21,22)(H,23,24)
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2.90E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50066697
PNG
((S)-2-[8-(2,4-Dichloro-phenyl)-octyl]-2-hydroxy-su...)
Show SMILES OC(=O)C[C@@](O)(CCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C18H24Cl2O5/c19-14-9-8-13(15(20)11-14)7-5-3-1-2-4-6-10-18(25,17(23)24)12-16(21)22/h8-9,11,25H,1-7,10,12H2,(H,21,22)(H,23,24)/t18-/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity was tested agianst ATP-Citrate Lyase (ACL) enzyme in rat


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50018569
PNG
(3,3,14,14-Tetramethyl-hexadecanedioic acid | CHEMB...)
Show SMILES CC(C)(CCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C20H38O4/c1-19(2,15-17(21)22)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)
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3.00E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver ACLY using CoA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053020
PNG
(2-[6-(2,4-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C17H22Cl2O5S/c18-13-7-6-12(14(19)9-13)5-3-1-2-4-8-25-11-17(24,16(22)23)10-15(20)21/h6-7,9,24H,1-5,8,10-11H2,(H,20,21)(H,22,23)
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3.30E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50052985
PNG
(2-[5-(2,4-Dichloro-phenyl)-pentylsulfanylmethyl]-2...)
Show SMILES OC(=O)CC(O)(CSCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C16H20Cl2O5S/c17-12-6-5-11(13(18)8-12)4-2-1-3-7-24-10-16(23,15(21)22)9-14(19)20/h5-6,8,23H,1-4,7,9-10H2,(H,19,20)(H,21,22)
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6.80E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM15361
PNG
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver ACLY using ATP as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053010
PNG
(2-[7-(2,4-Dichloro-phenyl)-heptylsulfanylmethyl]-2...)
Show SMILES OC(=O)CC(O)(CSCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C18H24Cl2O5S/c19-14-8-7-13(15(20)10-14)6-4-2-1-3-5-9-26-12-18(25,17(23)24)11-16(21)22/h7-8,10,25H,1-6,9,11-12H2,(H,21,22)(H,23,24)
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7.20E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50052980
PNG
(2-[6-(2,3-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1cccc(Cl)c1Cl)C(O)=O
Show InChI InChI=1S/C17H22Cl2O5S/c18-13-8-5-7-12(15(13)19)6-3-1-2-4-9-25-11-17(24,16(22)23)10-14(20)21/h5,7-8,24H,1-4,6,9-11H2,(H,20,21)(H,22,23)
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7.30E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053016
PNG
(2-[(E)-6-(2,4-Dichloro-phenyl)-hex-5-enylsulfanylm...)
Show SMILES OC(=O)CC(O)(CSCCCC\C=C\c1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C17H20Cl2O5S/c18-13-7-6-12(14(19)9-13)5-3-1-2-4-8-25-11-17(24,16(22)23)10-15(20)21/h3,5-7,9,24H,1-2,4,8,10-11H2,(H,20,21)(H,22,23)/b5-3+
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7.40E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
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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8.00E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY by fluorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053029
PNG
(2-[6-(3,5-Dichloro-biphenyl-2-yl)-hexylsulfanylmet...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1c(Cl)cc(Cl)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26Cl2O5S/c24-17-12-19(16-8-4-3-5-9-16)18(20(25)13-17)10-6-1-2-7-11-31-15-23(30,22(28)29)14-21(26)27/h3-5,8-9,12-13,30H,1-2,6-7,10-11,14-15H2,(H,26,27)(H,28,29)
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1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053018
PNG
(2-[5-(2,4-Dichloro-phenylsulfanyl)-pentylsulfanylm...)
Show SMILES OC(=O)CC(O)(CSCCCCCSc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C16H20Cl2O5S2/c17-11-4-5-13(12(18)8-11)25-7-3-1-2-6-24-10-16(23,15(21)22)9-14(19)20/h4-5,8,23H,1-3,6-7,9-10H2,(H,19,20)(H,21,22)
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1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053027
PNG
(2-[7-(2,4-Dichloro-phenyl)-heptyl]-2-hydroxy-succi...)
Show SMILES OC(=O)CC(O)(CCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C17H22Cl2O5/c18-13-8-7-12(14(19)10-13)6-4-2-1-3-5-9-17(24,16(22)23)11-15(20)21/h7-8,10,24H,1-6,9,11H2,(H,20,21)(H,22,23)
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1.05E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50066696
PNG
((2S,3S)-2-Amino-3-carboxy-3-hydroxy-pentanedioic a...)
Show SMILES N[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-,6+/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity was tested agianst ATP-Citrate Lyase (ACL) enzyme in rat


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50052991
PNG
(2-[5-(2,4-Dichloro-phenylamino)-pentylsulfanylmeth...)
Show SMILES OC(=O)CC(O)(CSCCCCCNc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C16H21Cl2NO5S/c17-11-4-5-13(12(18)8-11)19-6-2-1-3-7-25-10-16(24,15(22)23)9-14(20)21/h4-5,8,19,24H,1-3,6-7,9-10H2,(H,20,21)(H,22,23)
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1.20E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM15361
PNG
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver ACLY using citrate as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50394677
PNG
(CHEMBL2165262)
Show SMILES OC(=O)C[C@@](O)(C(O)=O)C(F)(F)C(O)=O
Show InChI InChI=1S/C6H6F2O7/c7-6(8,4(13)14)5(15,3(11)12)1-2(9)10/h15H,1H2,(H,9,10)(H,11,12)(H,13,14)/t5-/m1/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50018569
PNG
(3,3,14,14-Tetramethyl-hexadecanedioic acid | CHEMB...)
Show SMILES CC(C)(CCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C20H38O4/c1-19(2,15-17(21)22)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)
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1.60E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver ACLY using citrate as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50394676
PNG
(CHEMBL2165252)
Show SMILES OC(=O)C[C@]1(O[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H6O7/c7-2(8)1-6(5(11)12)3(13-6)4(9)10/h3H,1H2,(H,7,8)(H,9,10)(H,11,12)/t3-,6+/m0/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50036215
PNG
((2S,3R)-2-Carboxymethyl-oxirane-2,3-dicarboxylic a...)
Show SMILES OC(=O)C[C@@]1(O[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H6O7/c7-2(8)1-6(5(11)12)3(13-6)4(9)10/h3H,1H2,(H,7,8)(H,9,10)(H,11,12)/t3-,6-/m0/s1
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1.80E+4n/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)

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


(Rattus norvegicus)
BDBM50053015
PNG
(2-(6-Biphenyl-2-yl-hexylsulfanylmethyl)-2-hydroxy-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28O5S/c24-21(25)16-23(28,22(26)27)17-29-15-9-2-1-4-10-19-13-7-8-14-20(19)18-11-5-3-6-12-18/h3,5-8,11-14,28H,1-2,4,9-10,15-17H2,(H,24,25)(H,26,27)
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1.80E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053005
PNG
(2-(5-Biphenyl-2-yl-pentylsulfanylmethyl)-2-hydroxy...)
Show SMILES OC(=O)CC(O)(CSCCCCCc1ccccc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H26O5S/c23-20(24)15-22(27,21(25)26)16-28-14-8-2-5-11-18-12-6-7-13-19(18)17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13,27H,2,5,8,11,14-16H2,(H,23,24)(H,25,26)
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2.10E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053011
PNG
(4-[6-(2,4-Dichloro-phenyl)-hexylsulfanyl]-butyric ...)
Show SMILES OC(=O)CCCSCCCCCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H22Cl2O2S/c17-14-9-8-13(15(18)12-14)6-3-1-2-4-10-21-11-5-7-16(19)20/h8-9,12H,1-7,10-11H2,(H,19,20)
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2.50E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053007
PNG
(2-[7-(2,4-Dichloro-phenyl)-2-oxo-heptyl]-2-hydroxy...)
Show SMILES OC(=O)CC(O)(CC(=O)CCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C17H20Cl2O6/c18-12-7-6-11(14(19)8-12)4-2-1-3-5-13(20)9-17(25,16(23)24)10-15(21)22/h6-8,25H,1-5,9-10H2,(H,21,22)(H,23,24)
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2.50E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50036214
PNG
((2R,3R)-3-Carboxy-2-chloro-3-hydroxy-pentanedioic ...)
Show SMILES OC(=O)C[C@](O)([C@@H](Cl)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H7ClO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1H2,(H,8,9)(H,10,11)(H,12,13)/t3-,6-/m0/s1
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2.90E+4n/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)

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


(Rattus norvegicus)
BDBM50053008
PNG
(2-[6-(4-Bromo-phenyl)-hexylsulfanylmethyl]-2-hydro...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H23BrO5S/c18-14-8-6-13(7-9-14)5-3-1-2-4-10-24-12-17(23,16(21)22)11-15(19)20/h6-9,23H,1-5,10-12H2,(H,19,20)(H,21,22)
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3.10E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50052996
PNG
(2-[(Z)-6-(2,4-Dichloro-phenyl)-hex-5-enylsulfanylm...)
Show SMILES OC(=O)CC(O)(CSCCCC\C=C/c1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C17H20Cl2O5S/c18-13-7-6-12(14(19)9-13)5-3-1-2-4-8-25-11-17(24,16(22)23)10-15(20)21/h3,5-7,9,24H,1-2,4,8,10-11H2,(H,20,21)(H,22,23)/b5-3-
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3.30E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50036217
PNG
((2S,3R)-3-Carboxy-3-hydroxy-2-methylsulfanyl-penta...)
Show SMILES CS[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C7H10O7S/c1-15-4(5(10)11)7(14,6(12)13)2-3(8)9/h4,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-,7+/m1/s1
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3.40E+4n/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)

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


(Rattus norvegicus)
BDBM50053014
PNG
(2-(6-Biphenyl-4-yl-hexylsulfanylmethyl)-2-hydroxy-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28O5S/c24-21(25)16-23(28,22(26)27)17-29-15-7-2-1-4-8-18-11-13-20(14-12-18)19-9-5-3-6-10-19/h3,5-6,9-14,28H,1-2,4,7-8,15-17H2,(H,24,25)(H,26,27)
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3.80E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50394667
PNG
(CHEMBL2165253)
Show SMILES OC(=O)[C@H]1OC(=O)C[C@@]1(O)C(O)=O
Show InChI InChI=1S/C6H6O7/c7-2-1-6(12,5(10)11)3(13-2)4(8)9/h3,12H,1H2,(H,8,9)(H,10,11)/t3-,6+/m1/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACLY by fluorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50036219
PNG
((2S,3R)-3-Carboxy-3-hydroxy-2-mercapto-pentanedioi...)
Show SMILES OC(=O)C[C@](O)([C@H](S)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H8O7S/c7-2(8)1-6(13,5(11)12)3(14)4(9)10/h3,13-14H,1H2,(H,7,8)(H,9,10)(H,11,12)/t3-,6+/m1/s1
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5.80E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity was tested agianst ATP-Citrate Lyase (ACL) enzyme in rat


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50036219
PNG
((2S,3R)-3-Carboxy-3-hydroxy-2-mercapto-pentanedioi...)
Show SMILES OC(=O)C[C@](O)([C@H](S)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H8O7S/c7-2(8)1-6(13,5(11)12)3(14)4(9)10/h3,13-14H,1H2,(H,7,8)(H,9,10)(H,11,12)/t3-,6+/m1/s1
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5.80E+4n/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)

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


(Rattus norvegicus)
BDBM50052993
PNG
(2-Hydroxy-2-(6-naphthalen-1-yl-hexylsulfanylmethyl...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C21H26O5S/c22-19(23)14-21(26,20(24)25)15-27-13-6-2-1-3-8-16-10-7-11-17-9-4-5-12-18(16)17/h4-5,7,9-12,26H,1-3,6,8,13-15H2,(H,22,23)(H,24,25)
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6.30E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053006
PNG
(2-[5-(2,4-Dichloro-benzenesulfonyl)-pentylsulfanyl...)
Show SMILES OC(=O)CC(O)(CSCCCCCS(=O)(=O)c1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C16H20Cl2O7S2/c17-11-4-5-13(12(18)8-11)27(24,25)7-3-1-2-6-26-10-16(23,15(21)22)9-14(19)20/h4-5,8,23H,1-3,6-7,9-10H2,(H,19,20)(H,21,22)
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6.40E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053012
PNG
(2-[5-(2,4-Dichloro-phenoxy)-pentylsulfanylmethyl]-...)
Show SMILES OC(=O)CC(O)(CSCCCCCOc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C16H20Cl2O6S/c17-11-4-5-13(12(18)8-11)24-6-2-1-3-7-25-10-16(23,15(21)22)9-14(19)20/h4-5,8,23H,1-3,6-7,9-10H2,(H,19,20)(H,21,22)
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6.70E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053003
PNG
(2-[6-(2-Chloro-phenyl)-hexylsulfanylmethyl]-2-hydr...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C17H23ClO5S/c18-14-9-5-4-8-13(14)7-3-1-2-6-10-24-12-17(23,16(21)22)11-15(19)20/h4-5,8-9,23H,1-3,6-7,10-12H2,(H,19,20)(H,21,22)
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6.90E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053028
PNG
(2-[6-(4-Chloro-phenyl)-hexylsulfanylmethyl]-2-hydr...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H23ClO5S/c18-14-8-6-13(7-9-14)5-3-1-2-4-10-24-12-17(23,16(21)22)11-15(19)20/h6-9,23H,1-5,10-12H2,(H,19,20)(H,21,22)
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7.10E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50052983
PNG
(2-Hydroxy-2-[6-(2-nitro-phenyl)-hexylsulfanylmethy...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C17H23NO7S/c19-15(20)11-17(23,16(21)22)12-26-10-6-2-1-3-7-13-8-4-5-9-14(13)18(24)25/h4-5,8-9,23H,1-3,6-7,10-12H2,(H,19,20)(H,21,22)
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7.50E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053002
PNG
(2-[6-(2,6-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1c(Cl)cccc1Cl)C(O)=O
Show InChI InChI=1S/C17H22Cl2O5S/c18-13-7-5-8-14(19)12(13)6-3-1-2-4-9-25-11-17(24,16(22)23)10-15(20)21/h5,7-8,24H,1-4,6,9-11H2,(H,20,21)(H,22,23)
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7.60E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053024
PNG
(4-[6-(2,4-Dichloro-phenyl)-hexylsulfanyl]-3-hydrox...)
Show SMILES OC(CSCCCCCCc1ccc(Cl)cc1Cl)CC(O)=O
Show InChI InChI=1S/C16H22Cl2O3S/c17-13-7-6-12(15(18)9-13)5-3-1-2-4-8-22-11-14(19)10-16(20)21/h6-7,9,14,19H,1-5,8,10-11H2,(H,20,21)
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8.80E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


Citation and Details
More data for this
Ligand-Target Pair
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