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Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50020294   
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
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183307
PNG
(5-(N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...)
Show SMILES CC(C)C(=O)N(CCCCC(O)=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H21F6NO4/c1-11(2)15(28)25(10-4-3-5-14(26)27)13-8-6-12(7-9-13)16(29,17(19,20)21)18(22,23)24/h6-9,11,29H,3-5,10H2,1-2H3,(H,26,27)
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n/an/a 8n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50212235
PNG
(CHEMBL400455 | N-(4-(1H-tetrazol-5-yl)butyl)-N-(4-...)
Show SMILES CC(C)C(=O)N(CCCCc1nnn[nH]1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H21F6N5O2/c1-11(2)15(30)29(10-4-3-5-14-25-27-28-26-14)13-8-6-12(7-9-13)16(31,17(19,20)21)18(22,23)24/h6-9,11,31H,3-5,10H2,1-2H3,(H,25,26,27,28)
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n/an/a 8n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183302
PNG
(CHEMBL203790 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H24F6N2O3/c1-2-3-4-9-27(16(28)26-10-12-30-13-11-26)15-7-5-14(6-8-15)17(29,18(20,21)22)19(23,24)25/h5-8,29H,2-4,9-13H2,1H3
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n/an/a 19n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183299
PNG
(CHEMBL206438 | N-butyl-N-(4-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCCCN(C(=O)C(C)C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H21F6NO2/c1-4-5-10-24(14(25)11(2)3)13-8-6-12(7-9-13)15(26,16(18,19)20)17(21,22)23/h6-9,11,26H,4-5,10H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183327
PNG
(CHEMBL382695 | N-(4-Cyanobutyl)-N-[4-(2,2,2-triflu...)
Show SMILES CC(C)C(=O)N(CCCCC#N)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N2O2/c1-12(2)15(27)26(11-5-3-4-10-25)14-8-6-13(7-9-14)16(28,17(19,20)21)18(22,23)24/h6-9,12,28H,3-5,11H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50186052
PNG
(CHEMBL210190 | N-(4-cyanobenzyl)-N-(5-(1,1,1,3,3,3...)
Show SMILES CC(C)C(=O)N(Cc1ccc(cc1)C#N)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H15F6N3O2S/c1-10(2)14(28)27(9-12-5-3-11(7-25)4-6-12)15-26-8-13(30-15)16(29,17(19,20)21)18(22,23)24/h3-6,8,10,29H,9H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183301
PNG
(5-{isobutyryl-[4-(2,2,2-trifluoro-1-hydroxy-1-trif...)
Show SMILES COC(=O)CCCCN(C(=O)C(C)C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H23F6NO4/c1-12(2)16(28)26(11-5-4-6-15(27)30-3)14-9-7-13(8-10-14)17(29,18(20,21)22)19(23,24)25/h7-10,12,29H,4-6,11H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183297
PNG
(CHEMBL381996 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCCN(C(=O)C(C)C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H19F6NO2/c1-4-9-23(13(24)10(2)3)12-7-5-11(6-8-12)14(25,15(17,18)19)16(20,21)22/h5-8,10,25H,4,9H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183279
PNG
(CHEMBL202905 | N-butyl-N-(4-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H22F6N2O3/c1-2-3-8-26(15(27)25-9-11-29-12-10-25)14-6-4-13(5-7-14)16(28,17(19,20)21)18(22,23)24/h4-7,28H,2-3,8-12H2,1H3
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n/an/a 30n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183288
PNG
(CHEMBL381564 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCCCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H26F6N2O3/c1-2-3-4-5-10-28(17(29)27-11-13-31-14-12-27)16-8-6-15(7-9-16)18(30,19(21,22)23)20(24,25)26/h6-9,30H,2-5,10-14H2,1H3
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n/an/a 31n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183292
PNG
(CHEMBL205932 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H20F6N2O3/c1-2-7-25(14(26)24-8-10-28-11-9-24)13-5-3-12(4-6-13)15(27,16(18,19)20)17(21,22)23/h3-6,27H,2,7-11H2,1H3
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n/an/a 34n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183321
PNG
(4-Cyano-N-ethyl-N-[4-(2,2,2-trifluoro-1-hydroxy-1-...)
Show SMILES CCN(C(=O)c1ccc(cc1)C#N)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O2/c1-2-27(16(28)13-5-3-12(11-26)4-6-13)15-9-7-14(8-10-15)17(29,18(20,21)22)19(23,24)25/h3-10,29H,2H2,1H3
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n/an/a 37n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176177
PNG
(CHEMBL377710 | ethyl 3-(1-(4-(1,1,1,3,3,3-hexafluo...)
Show SMILES CCOC(=O)C(C)Cc1cnc(C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H24F6N2O3/c1-5-32-18(30)13(4)10-16-11-28-17(12(2)3)29(16)15-8-6-14(7-9-15)19(31,20(22,23)24)21(25,26)27/h6-9,11-13,31H,5,10H2,1-4H3
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n/an/a 37n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183320
PNG
(CHEMBL380746 | N-(3-cyanopropyl)-N-(4-(1,1,1,3,3,3...)
Show SMILES OC(c1ccc(cc1)N(CCCC#N)C(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H19F6N3O3/c19-17(20,21)16(29,18(22,23)24)13-3-5-14(6-4-13)27(8-2-1-7-25)15(28)26-9-11-30-12-10-26/h3-6,29H,1-2,8-12H2
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n/an/a 40n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183308
PNG
(CHEMBL383478 | N-ethyl-N-(4-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCN(C(=O)C(C)C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H17F6NO2/c1-4-22(12(23)9(2)3)11-7-5-10(6-8-11)13(24,14(16,17)18)15(19,20)21/h5-9,24H,4H2,1-3H3
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n/an/a 41n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176150
PNG
(CHEMBL201846 | methyl 3-(2-sec-butyl-1-(4-(1,1,1,3...)
Show SMILES CCC(C)c1ncc(CCC(=O)OC)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H22F6N2O3/c1-4-12(2)17-27-11-15(9-10-16(29)31-3)28(17)14-7-5-13(6-8-14)18(30,19(21,22)23)20(24,25)26/h5-8,11-12,30H,4,9-10H2,1-3H3
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n/an/a 41n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183332
PNG
(5-{(morpholine-4-carbonyl)-[4-(2,2,2-trifluoro-1-h...)
Show SMILES COC(=O)CCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H24F6N2O5/c1-32-16(29)4-2-3-9-28(17(30)27-10-12-33-13-11-27)15-7-5-14(6-8-15)18(31,19(21,22)23)20(24,25)26/h5-8,31H,2-4,9-13H2,1H3
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n/an/a 42n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50186053
PNG
(CHEMBL385355 | N-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)C(=O)N(Cc1ccncc1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H15F6N3O2S/c1-9(2)12(26)25(8-10-3-5-23-6-4-10)13-24-7-11(28-13)14(27,15(17,18)19)16(20,21)22/h3-7,9,27H,8H2,1-2H3
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n/an/a 42n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183291
PNG
(CHEMBL205117 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(cc1)N(CCc1ccccc1)C(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H22F6N2O3/c23-21(24,25)20(32,22(26,27)28)17-6-8-18(9-7-17)30(11-10-16-4-2-1-3-5-16)19(31)29-12-14-33-15-13-29/h1-9,32H,10-15H2
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n/an/a 43n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50212237
PNG
((Z)-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2...)
Show SMILES CC(C)C1N=C\C(=N\OC(C)(C)C)N1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F |w:3.2,c:4|
Show InChI InChI=1S/C19H23F6N3O2/c1-11(2)15-26-10-14(27-30-16(3,4)5)28(15)13-8-6-12(7-9-13)17(29,18(20,21)22)19(23,24)25/h6-11,15,29H,1-5H3/b27-14-
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n/an/a 44n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50186068
PNG
(CHEMBL211767 | methyl 4-((N-(5-(1,1,1,3,3,3-hexafl...)
Show SMILES COC(=O)c1ccc(CN(C(=O)C(C)C)c2ncc(s2)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C19H18F6N2O4S/c1-10(2)14(28)27(9-11-4-6-12(7-5-11)15(29)31-3)16-26-8-13(32-16)17(30,18(20,21)22)19(23,24)25/h4-8,10,30H,9H2,1-3H3
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n/an/a 54n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176201
PNG
(1-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCC(C)c1ncc(C(O)C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H24F6N2O2/c1-5-12(4)17-27-10-15(16(29)11(2)3)28(17)14-8-6-13(7-9-14)18(30,19(21,22)23)20(24,25)26/h6-12,16,29-30H,5H2,1-4H3
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n/an/a 59n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176149
PNG
(CHEMBL202161 | methyl 3-(1-(4-(1,1,1,3,3,3-hexaflu...)
Show SMILES COC(=O)CCc1cnc(C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H20F6N2O3/c1-11(2)16-26-10-14(8-9-15(28)30-3)27(16)13-6-4-12(5-7-13)17(29,18(20,21)22)19(23,24)25/h4-7,10-11,29H,8-9H2,1-3H3
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n/an/a 65n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183286
PNG
(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H23F6NO2/c1-11(2)9-25(10-12(3)4)15(26)13-5-7-14(8-6-13)16(27,17(19,20)21)18(22,23)24/h5-8,11-12,27H,9-10H2,1-4H3
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n/an/a 70n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183333
PNG
(CHEMBL205719 | N-heptyl-N-(4-(1,1,1,3,3,3-hexafluo...)
Show SMILES CCCCCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H28F6N2O3/c1-2-3-4-5-6-11-29(18(30)28-12-14-32-15-13-28)17-9-7-16(8-10-17)19(31,20(22,23)24)21(25,26)27/h7-10,31H,2-6,11-15H2,1H3
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n/an/a 72n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183303
PNG
(CHEMBL205931 | N-ethyl-N-(4-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H18F6N2O3/c1-2-24(13(25)23-7-9-27-10-8-23)12-5-3-11(4-6-12)14(26,15(17,18)19)16(20,21)22/h3-6,26H,2,7-10H2,1H3
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n/an/a 74n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183306
PNG
(4-{(morpholine-4-carbonyl)-[4-(2,2,2-trifluoro-1-h...)
Show SMILES COC(=O)CCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O5/c1-31-15(28)3-2-8-27(16(29)26-9-11-32-12-10-26)14-6-4-13(5-7-14)17(30,18(20,21)22)19(23,24)25/h4-7,30H,2-3,8-12H2,1H3
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n/an/a 75n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176220
PNG
((E)-methyl 3-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafl...)
Show SMILES CCC(C)c1ncc(\C=C\C(=O)OC)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F6N2O3/c1-4-12(2)17-27-11-15(9-10-16(29)31-3)28(17)14-7-5-13(6-8-14)18(30,19(21,22)23)20(24,25)26/h5-12,30H,4H2,1-3H3/b10-9+
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n/an/a 88n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183331
PNG
(CHEMBL382794 | N-ethyl-N-(4-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCN(C(=O)c1ccncc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14F6N2O2/c1-2-25(14(26)11-7-9-24-10-8-11)13-5-3-12(4-6-13)15(27,16(18,19)20)17(21,22)23/h3-10,27H,2H2,1H3
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n/an/a 96n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183312
PNG
(3-{(morpholine-4-carbonyl)-[4-(2,2,2-trifluoro-1-h...)
Show SMILES COC(=O)CCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N2O5/c1-30-14(27)6-7-26(15(28)25-8-10-31-11-9-25)13-4-2-12(3-5-13)16(29,17(19,20)21)18(22,23)24/h2-5,29H,6-11H2,1H3
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n/an/a 100n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176175
PNG
(5-((1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2...)
Show SMILES CC(C)c1ncc(COCCCCC#N)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H23F6N3O2/c1-14(2)18-29-12-17(13-32-11-5-3-4-10-28)30(18)16-8-6-15(7-9-16)19(31,20(22,23)24)21(25,26)27/h6-9,12,14,31H,3-5,11,13H2,1-2H3
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n/an/a 107n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50186043
PNG
(CHEMBL441535 | N-butyl-N-(5-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCCCN(C(=O)c1ccncc1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H15F6N3O2S/c1-2-3-8-25(12(26)10-4-6-23-7-5-10)13-24-9-11(28-13)14(27,15(17,18)19)16(20,21)22/h4-7,9,27H,2-3,8H2,1H3
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n/an/a 111n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176195
PNG
(1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(...)
Show SMILES OCc1cnc(-c2ccncc2)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H13F6N3O2/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-14(10-28)9-26-15(27)11-5-7-25-8-6-11/h1-9,28-29H,10H2
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n/an/a 114n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176193
PNG
(2-(4-(5-((4-(1H-tetrazol-5-yl)butoxy)methyl)-2-iso...)
Show SMILES CC(C)c1ncc(COCCCCc2nnn[nH]2)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H24F6N6O2/c1-13(2)18-28-11-16(12-35-10-4-3-5-17-29-31-32-30-17)33(18)15-8-6-14(7-9-15)19(34,20(22,23)24)21(25,26)27/h6-9,11,13,34H,3-5,10,12H2,1-2H3,(H,29,30,31,32)
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n/an/a 116n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50186055
PNG
(CHEMBL211238 | N-(cyclopropylmethyl)-6-(1,1,1,3,3,...)
Show SMILES CCCN(CC1CC1)C(=O)c1ccc(nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H18F6N2O2/c1-2-7-24(9-10-3-4-10)13(25)11-5-6-12(23-8-11)14(26,15(17,18)19)16(20,21)22/h5-6,8,10,26H,2-4,7,9H2,1H3
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n/an/a 117n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50212234
PNG
((Z)-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2...)
Show SMILES CCO\N=C1\C=NC(C(C)C)N1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F |w:7.7,c:5|
Show InChI InChI=1S/C17H19F6N3O2/c1-4-28-25-13-9-24-14(10(2)3)26(13)12-7-5-11(6-8-12)15(27,16(18,19)20)17(21,22)23/h5-10,14,27H,4H2,1-3H3/b25-13-
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n/an/a 118n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176186
PNG
((E)-3-(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropa...)
Show SMILES CC(C)c1ncc(\C=C\C#N)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H15F6N3O/c1-11(2)15-26-10-14(4-3-9-25)27(15)13-7-5-12(6-8-13)16(28,17(19,20)21)18(22,23)24/h3-8,10-11,28H,1-2H3/b4-3+
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n/an/a 140n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176207
PNG
(2-(4-(2-sec-butyl-5-(1-hydroxyethyl)-1H-imidazol-1...)
Show SMILES CCC(C)c1ncc(C(C)O)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N2O2/c1-4-10(2)15-25-9-14(11(3)27)26(15)13-7-5-12(6-8-13)16(28,17(19,20)21)18(22,23)24/h5-11,27-28H,4H2,1-3H3
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n/an/a 149n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183281
PNG
(CHEMBL381266 | N-cyclohexyl-3-phenyl-N-[4-(2,2,2-t...)
Show SMILES OC(c1ccc(cc1)N(C1CCCCC1)C(=O)CCc1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H25F6NO2/c25-23(26,27)22(33,24(28,29)30)18-12-14-20(15-13-18)31(19-9-5-2-6-10-19)21(32)16-11-17-7-3-1-4-8-17/h1,3-4,7-8,12-15,19,33H,2,5-6,9-11,16H2
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n/an/a 150n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50212238
PNG
((Z)-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2...)
Show SMILES CC(C)C1N=CC(N=O)N1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F |c:4|
Show InChI InChI=1S/C15H15F6N3O2/c1-8(2)12-22-7-11(23-26)24(12)10-5-3-9(4-6-10)13(25,14(16,17)18)15(19,20)21/h3-8,11-12,25H,1-2H3
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n/an/a 152n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50202794
PNG
(CHEMBL247256 | N,N-dipropyl-4-(2,2,2-trifluoroacet...)
Show SMILES CCCN(CCC)C(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H18F3NO2/c1-3-9-19(10-4-2)14(21)12-7-5-11(6-8-12)13(20)15(16,17)18/h5-8H,3-4,9-10H2,1-2H3
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n/an/a 153n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50202801
PNG
(CHEMBL245830 | N-(2-cyanoethyl)-N-phenyl-4-(2,2,2-...)
Show SMILES FC(F)(F)C(=O)c1ccc(cc1)C(=O)N(CCC#N)c1ccccc1
Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)16(24)13-7-9-14(10-8-13)17(25)23(12-4-11-22)15-5-2-1-3-6-15/h1-3,5-10H,4,12H2
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n/an/a 155n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50212236
PNG
(2-(4-(5-((5-(1H-tetrazol-5-yl)pentyloxy)methyl)-2-...)
Show SMILES CC(C)c1ncc(COCCCCCc2nnn[nH]2)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H26F6N6O2/c1-14(2)19-29-12-17(13-36-11-5-3-4-6-18-30-32-33-31-18)34(19)16-9-7-15(8-10-16)20(35,21(23,24)25)22(26,27)28/h7-10,12,14,35H,3-6,11,13H2,1-2H3,(H,30,31,32,33)
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n/an/a 155n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176191
PNG
(3-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCC(C)c1ncc(CCC(O)=O)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H20F6N2O3/c1-3-11(2)16-26-10-14(8-9-15(28)29)27(16)13-6-4-12(5-7-13)17(30,18(20,21)22)19(23,24)25/h4-7,10-11,30H,3,8-9H2,1-2H3,(H,28,29)
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n/an/a 163n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183282
PNG
(CHEMBL204273 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H18F6N2O4/c17-15(18,19)14(27,16(20,21)22)11-1-3-12(4-2-11)24(5-8-25)13(26)23-6-9-28-10-7-23/h1-4,25,27H,5-10H2
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n/an/a 166n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176179
PNG
(6-((1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2...)
Show SMILES CC(C)c1ncc(COCCCCCC#N)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H25F6N3O2/c1-15(2)19-30-13-18(14-33-12-6-4-3-5-11-29)31(19)17-9-7-16(8-10-17)20(32,21(23,24)25)22(26,27)28/h7-10,13,15,32H,3-6,12,14H2,1-2H3
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n/an/a 170n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50186058
PNG
(CHEMBL377742 | N-butyl-N-(5-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCCCN(C(C)=O)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H14F6N2O2S/c1-3-4-5-20(7(2)21)9-19-6-8(23-9)10(22,11(13,14)15)12(16,17)18/h6,22H,3-5H2,1-2H3
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n/an/a 177n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183330
PNG
(CHEMBL206808 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)C(=O)N(C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H15F6NO2/c1-8(2)11(22)21(3)10-6-4-9(5-7-10)12(23,13(15,16)17)14(18,19)20/h4-8,23H,1-3H3
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n/an/a 178n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176162
PNG
(CHEMBL370601 | ethyl 1-(4-(1,1,1,3,3,3-hexafluoro-...)
Show SMILES CCOC(=O)c1cn(c(n1)-c1ccncc1)-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O3/c1-2-32-17(30)15-11-29(16(28-15)12-7-9-27-10-8-12)14-5-3-13(4-6-14)18(31,19(21,22)23)20(24,25)26/h3-11,31H,2H2,1H3
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n/an/a 191n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176185
PNG
(2-ethyl-N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyp...)
Show SMILES CCCCC(CC)C(=O)Nc1onc(C(C)C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H28F6N2O3/c1-5-7-8-14(6-2)19(32)30-20-17(18(13(3)4)31-34-20)15-9-11-16(12-10-15)21(33,22(24,25)26)23(27,28)29/h9-14,33H,5-8H2,1-4H3,(H,30,32)
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n/an/a 200n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
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