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15 similar compounds to monomer 50053028

Wt: 416.5
BDBM50053014
Wt: 326.4
BDBM50053019
Wt: 409.3
BDBM50053020
Wt: 423.3
BDBM50053030
Wt: 374.8
BDBM50052978
Wt: 402.5
BDBM50052979
Wt: 409.3
BDBM50052980
Wt: 395.2
BDBM50052985
Wt: 409.3
BDBM50052988
Wt: 340.4
BDBM50052992
Wt: 358.4
BDBM50052994
Wt: 409.3
BDBM50053002
Wt: 374.8
BDBM50053003
Wt: 451.4
BDBM50053009
Wt: 423.3
BDBM50053010

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50053014,50053019,50053020,50053030,50052978,50052979,50052980,50052985,50052988,50052992,50052994,50053002,50053003,50053009,50053010   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)
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)
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)
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)
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)
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


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


(Homo sapiens)
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


Citation and Details
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.


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair