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PubMed code 8784456

Compile data set for download or QSAR
Found 55 hits of Enzyme Inhibition Constant Data   
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)		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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50052987
PNG
(2-[6-(4-Chloro-2-nitro-phenyl)-hexylsulfanylmethyl...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C17H22ClNO7S/c18-13-7-6-12(14(9-13)19(25)26)5-3-1-2-4-8-27-11-17(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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 2.60E+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 was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052999
PNG
(2-Hydroxy-2-(6-naphthalen-2-yl-hexylsulfanylmethyl...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C21H26O5S/c22-19(23)14-21(26,20(24)25)15-27-12-6-2-1-3-7-16-10-11-17-8-4-5-9-18(17)13-16/h4-5,8-11,13,26H,1-3,6-7,12,14-15H2,(H,22,23)(H,24,25)
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 9.30E+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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053022
PNG
(2-[6-(2-Benzyl-phenyl)-hexylsulfanylmethyl]-2-hydr...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H30O5S/c25-22(26)17-24(29,23(27)28)18-30-15-9-2-1-6-12-20-13-7-8-14-21(20)16-19-10-4-3-5-11-19/h3-5,7-8,10-11,13-14,29H,1-2,6,9,12,15-18H2,(H,25,26)(H,27,28)
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 9.40E+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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052988
PNG
(2-[6-(3,4-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H22Cl2O5S/c18-13-7-6-12(9-14(13)19)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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 1.10E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052994
PNG
(2-[6-(4-Fluoro-phenyl)-hexylsulfanylmethyl]-2-hydr...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C17H23FO5S/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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 1.20E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50053013
PNG
(2-[6-(3,5-Dichloro-pyridin-4-yl)-hexylsulfanylmeth...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1c(Cl)cncc1Cl)C(O)=O
Show InChI InChI=1S/C16H21Cl2NO5S/c17-12-8-19-9-13(18)11(12)5-3-1-2-4-6-25-10-16(24,15(22)23)7-14(20)21/h8-9,24H,1-7,10H2,(H,20,21)(H,22,23)
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 1.21E+5n/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 activity was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetat...

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053030
PNG
(2-[6-(2,4-Dichloro-phenyl)-6-oxo-hexylsulfanylmeth...)
Show SMILES OC(=O)CC(O)(CSCCCCCC(=O)c1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C17H20Cl2O6S/c18-11-5-6-12(13(19)8-11)14(20)4-2-1-3-7-26-10-17(25,16(23)24)9-15(21)22/h5-6,8,25H,1-4,7,9-10H2,(H,21,22)(H,23,24)
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 1.30E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052997
PNG
(2-[5-(2,4-Dichloro-benzenesulfinyl)-pentylsulfanyl...)
Show SMILES OC(=O)CC(O)(CSCCCCCS(=O)c1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C16H20Cl2O6S2/c17-11-4-5-13(12(18)8-11)26(24)7-3-1-2-6-25-10-16(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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 1.31E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052978
PNG
(2-[6-(3-Chloro-phenyl)-hexylsulfanylmethyl]-2-hydr...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H23ClO5S/c18-14-8-5-7-13(10-14)6-3-1-2-4-9-24-12-17(23,16(21)22)11-15(19)20/h5,7-8,10,23H,1-4,6,9,11-12H2,(H,19,20)(H,21,22)
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 1.50E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053017
PNG
(2-[6-(2,4-Dimethyl-phenyl)-hexylsulfanylmethyl]-2-...)
Show SMILES Cc1ccc(CCCCCCSCC(O)(CC(O)=O)C(O)=O)c(C)c1
Show InChI InChI=1S/C19H28O5S/c1-14-8-9-16(15(2)11-14)7-5-3-4-6-10-25-13-19(24,18(22)23)12-17(20)21/h8-9,11,24H,3-7,10,12-13H2,1-2H3,(H,20,21)(H,22,23)
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 1.60E+5n/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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053026
PNG
(2-[4-(2,4-Dichloro-benzenesulfonylamino)-butylsulf...)
Show SMILES OC(=O)CC(O)(CSCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C15H19Cl2NO7S2/c16-10-3-4-12(11(17)7-10)27(24,25)18-5-1-2-6-26-9-15(23,14(21)22)8-13(19)20/h3-4,7,18,23H,1-2,5-6,8-9H2,(H,19,20)(H,21,22)
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 1.75E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053023
PNG
(2-{4-[(2,4-Dichloro-benzenesulfonyl)-methyl-amino]...)
Show SMILES CN(CCCCSCC(O)(CC(O)=O)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H21Cl2NO7S2/c1-19(28(25,26)13-5-4-11(17)8-12(13)18)6-2-3-7-27-10-16(24,15(22)23)9-14(20)21/h4-5,8,24H,2-3,6-7,9-10H2,1H3,(H,20,21)(H,22,23)
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 1.78E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052979
PNG
(2-(5-Biphenyl-4-yl-pentylsulfanylmethyl)-2-hydroxy...)
Show SMILES OC(=O)CC(O)(CSCCCCCc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H26O5S/c23-20(24)15-22(27,21(25)26)16-28-14-6-2-3-7-17-10-12-19(13-11-17)18-8-4-1-5-9-18/h1,4-5,8-13,27H,2-3,6-7,14-16H2,(H,23,24)(H,25,26)
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 2.26E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052981
PNG
(2-[6-(2,4-Difluoro-phenyl)-hexylsulfanylmethyl]-2-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(F)cc1F)C(O)=O
Show InChI InChI=1S/C17H22F2O5S/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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 2.70E+5n/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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052982
PNG
(2-Hydroxy-2-[6-(4-methoxy-phenyl)-hexylsulfanylmet...)
Show SMILES COc1ccc(CCCCCCSCC(O)(CC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C18H26O6S/c1-24-15-9-7-14(8-10-15)6-4-2-3-5-11-25-13-18(23,17(21)22)12-16(19)20/h7-10,23H,2-6,11-13H2,1H3,(H,19,20)(H,21,22)
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 2.80E+5n/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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053009
PNG
(2-[9-(2,4-Dichloro-phenyl)-nonylsulfanylmethyl]-2-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C20H28Cl2O5S/c21-16-10-9-15(17(22)12-16)8-6-4-2-1-3-5-7-11-28-14-20(27,19(25)26)13-18(23)24/h9-10,12,27H,1-8,11,13-14H2,(H,23,24)(H,25,26)
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 3.00E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50052984
PNG
(2-Hydroxy-2-(3-naphthalen-2-yl-propylsulfanylmethy...)
Show SMILES OC(=O)CC(O)(CSCCCc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C18H20O5S/c19-16(20)11-18(23,17(21)22)12-24-9-3-4-13-7-8-14-5-1-2-6-15(14)10-13/h1-2,5-8,10,23H,3-4,9,11-12H2,(H,19,20)(H,21,22)
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 3.00E+5n/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 activity was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetat...

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))		BDBM50052992
PNG
(2-Hydroxy-2-(6-phenyl-hexylsulfanylmethyl)-succini...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H24O5S/c18-15(19)12-17(22,16(20)21)13-23-11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,22H,1-2,4,7-8,11-13H2,(H,18,19)(H,20,21)
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 3.20E+5n/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 was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053021
PNG
(2-Hydroxy-2-[6-(4-nitro-phenyl)-hexylsulfanylmethy...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C17H23NO7S/c19-15(20)11-17(23,16(21)22)12-26-10-4-2-1-3-5-13-6-8-14(9-7-13)18(24)25/h6-9,23H,1-5,10-12H2,(H,19,20)(H,21,22)
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 3.40E+5n/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 activity was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetat...

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053025
PNG
(2-[3-(2,4-Dichloro-phenyl)-propylsulfanylmethyl]-2...)
Show SMILES OC(=O)CC(O)(CSCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C14H16Cl2O5S/c15-10-4-3-9(11(16)6-10)2-1-5-22-8-14(21,13(19)20)7-12(17)18/h3-4,6,21H,1-2,5,7-8H2,(H,17,18)(H,19,20)
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 3.90E+5n/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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053004
PNG
(2-(2,4-Dichloro-benzylsulfanylmethyl)-2-hydroxy-su...)
Show SMILES OC(=O)CC(O)(CSCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C12H12Cl2O5S/c13-8-2-1-7(9(14)3-8)5-20-6-12(19,11(17)18)4-10(15)16/h1-3,19H,4-6H2,(H,15,16)(H,17,18)
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 4.10E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052990
PNG
(2-[6-(4-Carboxy-phenyl)-hexylsulfanylmethyl]-2-hyd...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H24O7S/c19-15(20)11-18(25,17(23)24)12-26-10-4-2-1-3-5-13-6-8-14(9-7-13)16(21)22/h6-9,25H,1-5,10-12H2,(H,19,20)(H,21,22)(H,23,24)
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 4.20E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052998
PNG
(2-Hydroxy-2-[6-(4-hydroxy-phenyl)-hexylsulfanylmet...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C17H24O6S/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/h6-9,18,23H,1-5,10-12H2,(H,19,20)(H,21,22)
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 4.20E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052986
PNG
(2-[2-(2,4-Dichloro-phenyl)-ethylsulfanylmethyl]-2-...)
Show SMILES OC(=O)CC(O)(CSCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C13H14Cl2O5S/c14-9-2-1-8(10(15)5-9)3-4-21-7-13(20,12(18)19)6-11(16)17/h1-2,5,20H,3-4,6-7H2,(H,16,17)(H,18,19)
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 4.80E+5n/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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053019
PNG
(2-Hydroxy-2-(5-phenyl-pentylsulfanylmethyl)-succin...)
Show SMILES OC(=O)CC(O)(CSCCCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H22O5S/c17-14(18)11-16(21,15(19)20)12-22-10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,21H,2,5-6,9-12H2,(H,17,18)(H,19,20)
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 4.90E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50053031
PNG
(2-Hydroxy-2-[6-(4-sulfamoyl-phenyl)-hexylsulfanylm...)
Show SMILES NS(=O)(=O)c1ccc(CCCCCCSCC(O)(CC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C17H25NO7S2/c18-27(24,25)14-8-6-13(7-9-14)5-3-1-2-4-10-26-12-17(23,16(21)22)11-15(19)20/h6-9,23H,1-5,10-12H2,(H,19,20)(H,21,22)(H2,18,24,25)
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 5.00E+5n/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.

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)		BDBM50052992
PNG
(2-Hydroxy-2-(6-phenyl-hexylsulfanylmethyl)-succini...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H24O5S/c18-15(19)12-17(22,16(20)21)13-23-11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,22H,1-2,4,7-8,11-13H2,(H,18,19)(H,20,21)
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 7.10E+5n/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

J Med Chem 39: 3569-84 (1996)


Article DOI: 10.1021/jm960167w
BindingDB Entry DOI: 10.7270/Q21N807N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%