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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with Target = 'Malate Dehydrogenase, mitochondrial'   
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
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM23229
PNG
(Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(OC)c4)cc3o2)cc1
Show InChI InChI=1S/C29H26N2O10/c1-38-18-6-3-17(4-7-18)15-30-27(34)25-14-22(33)26-21(32)12-19(13-24(26)41-25)40-10-9-16-5-8-20(23(11-16)39-2)31-28(35)29(36)37/h3-8,11-14,32H,9-10,15H2,1-2H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 390n/an/an/an/a7.025



University of Mississippi



Assay Description
MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300050
PNG
(9-tert-Butyl-5-(3,4-dichlorobenzyl)-7,12-dihydroin...)
Show SMILES CC(C)(C)c1ccc2[nH]c-3c(CC(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc-34)c2c1
Show InChI InChI=1S/C27H24Cl2N2O/c1-27(2,3)17-9-11-23-19(13-17)20-14-25(32)31(15-16-8-10-21(28)22(29)12-16)24-7-5-4-6-18(24)26(20)30-23/h4-13,30H,14-15H2,1-3H3
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n/an/a 770n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300053
PNG
(9-Bromo-5-(3,4-dichlorobenzyl)-7,12-dihydroindolo[...)
Show SMILES Clc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1Cl
Show InChI InChI=1S/C23H15BrCl2N2O/c24-14-6-8-20-16(10-14)17-11-22(29)28(12-13-5-7-18(25)19(26)9-13)21-4-2-1-3-15(21)23(17)27-20/h1-10,27H,11-12H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404710
PNG
(CHEMBL434275)
Show SMILES OC(=O)c1cnc2cc(OCc3ccc(Oc4ccccc4)cc3)ccc2c1O
Show InChI InChI=1S/C23H17NO5/c25-22-19-11-10-18(12-21(19)24-13-20(22)23(26)27)28-14-15-6-8-17(9-7-15)29-16-4-2-1-3-5-16/h1-13H,14H2,(H,24,25)(H,26,27)
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n/an/a 1.48E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404709
PNG
(CHEMBL156707)
Show SMILES OC(=O)c1cnc2cc(OCCOc3ccc4ccccc4c3)ccc2c1O
Show InChI InChI=1S/C22H17NO5/c24-21-18-8-7-17(12-20(18)23-13-19(21)22(25)26)28-10-9-27-16-6-5-14-3-1-2-4-15(14)11-16/h1-8,11-13H,9-10H2,(H,23,24)(H,25,26)
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n/an/a 1.58E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300055
PNG
(9-Bromo-5-(4-methylbenzyl)-7,12-dihydroindolo[3,2-...)
Show SMILES Cc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1
Show InChI InChI=1S/C24H19BrN2O/c1-15-6-8-16(9-7-15)14-27-22-5-3-2-4-18(22)24-20(13-23(27)28)19-12-17(25)10-11-21(19)26-24/h2-12,26H,13-14H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300059
PNG
(5-Benzyl-9-tert-butyl-7,12-dihydroindolo[3,2-d][1]...)
Show SMILES CC(C)(C)c1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
Show InChI InChI=1S/C27H26N2O/c1-27(2,3)19-13-14-23-21(15-19)22-16-25(30)29(17-18-9-5-4-6-10-18)24-12-8-7-11-20(24)26(22)28-23/h4-15,28H,16-17H2,1-3H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300054
PNG
(9-Bromo-5-(4-methoxybenzyl)-7,12-dihydroindolo[3,2...)
Show SMILES COc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1
Show InChI InChI=1S/C24H19BrN2O2/c1-29-17-9-6-15(7-10-17)14-27-22-5-3-2-4-18(22)24-20(13-23(27)28)19-12-16(25)8-11-21(19)26-24/h2-12,26H,13-14H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404705
PNG
(CHEMBL348630)
Show SMILES OC(=O)c1cnc2cc(OCCc3ccc(Oc4ccccc4)cc3)ccc2c1O
Show InChI InChI=1S/C24H19NO5/c26-23-20-11-10-19(14-22(20)25-15-21(23)24(27)28)29-13-12-16-6-8-18(9-7-16)30-17-4-2-1-3-5-17/h1-11,14-15H,12-13H2,(H,25,26)(H,27,28)
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n/an/a 1.82E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404703
PNG
(CHEMBL155684)
Show SMILES OC(=O)c1cnc2cc(OCCc3ccc4ccccc4c3)ccc2c1O
Show InChI InChI=1S/C22H17NO4/c24-21-18-8-7-17(12-20(18)23-13-19(21)22(25)26)27-10-9-14-5-6-15-3-1-2-4-16(15)11-14/h1-8,11-13H,9-10H2,(H,23,24)(H,25,26)
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n/an/a 2.19E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM7307
PNG
(5-benzyl-9-bromopaullone | 8-benzyl-14-bromo-8,18-...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
Show InChI InChI=1S/C23H17BrN2O/c24-16-10-11-20-18(12-16)19-13-22(27)26(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)25-20/h1-12,25H,13-14H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404702
PNG
(CHEMBL160429)
Show SMILES OC(=O)c1cnc2cc(OCCOc3ccc(Oc4ccccc4)cc3)ccc2c1O
Show InChI InChI=1S/C24H19NO6/c26-23-20-11-10-19(14-22(20)25-15-21(23)24(27)28)30-13-12-29-16-6-8-18(9-7-16)31-17-4-2-1-3-5-17/h1-11,14-15H,12-13H2,(H,25,26)(H,27,28)
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n/an/a 2.45E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404714
PNG
(CHEMBL160432)
Show SMILES OC(=O)c1cnc2cc(OCCc3ccc(Br)cc3)ccc2c1O
Show InChI InChI=1S/C18H14BrNO4/c19-12-3-1-11(2-4-12)7-8-24-13-5-6-14-16(9-13)20-10-15(17(14)21)18(22)23/h1-6,9-10H,7-8H2,(H,20,21)(H,22,23)
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n/an/a 2.51E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300060
PNG
(5-Benzyl-9-chloro-7,12-dihydroindolo[3,2-d][1]benz...)
Show SMILES Clc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
Show InChI InChI=1S/C23H17ClN2O/c24-16-10-11-20-18(12-16)19-13-22(27)26(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)25-20/h1-12,25H,13-14H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300044
PNG
(CHEMBL578640 | Octyl 6-oxo-5,6,7,12-tetrahydroindo...)
Show SMILES CCCCCCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C25H28N2O3/c1-2-3-4-5-6-9-14-30-25(29)17-12-13-22-19(15-17)20-16-23(28)26-21-11-8-7-10-18(21)24(20)27-22/h7-8,10-13,15,27H,2-6,9,14,16H2,1H3,(H,26,28)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM23227
PNG
(Oxamic acid derivative, 5 | [(4-{2-[(5-hydroxy-2-{...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1
Show InChI InChI=1S/C28H24N2O9/c1-37-19-8-4-17(5-9-19)15-29-26(33)24-14-22(32)25-21(31)12-20(13-23(25)39-24)38-11-10-16-2-6-18(7-3-16)30-27(34)28(35)36/h2-9,12-14,31H,10-11,15H2,1H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 2.72E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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n/an/a 2.80E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404726
PNG
(CHEMBL160455)
Show SMILES OC(=O)c1cnc2cc(OCc3ccc4ccccc4c3)ccc2c1O
Show InChI InChI=1S/C21H15NO4/c23-20-17-8-7-16(10-19(17)22-11-18(20)21(24)25)26-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2,(H,22,23)(H,24,25)
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n/an/a 4.07E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300058
PNG
(5-Benzyl-9-trifluoromethyl-7,12-dihydroindolo[3,2-...)
Show SMILES FC(F)(F)c1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
Show InChI InChI=1S/C24H17F3N2O/c25-24(26,27)16-10-11-20-18(12-16)19-13-22(30)29(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)28-20/h1-12,28H,13-14H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300045
PNG
(CHEMBL575107 | Hexyl 6-oxo-5,6,7,12-tetrahydroindo...)
Show SMILES CCCCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C23H24N2O3/c1-2-3-4-7-12-28-23(27)15-10-11-20-17(13-15)18-14-21(26)24-19-9-6-5-8-16(19)22(18)25-20/h5-6,8-11,13,25H,2-4,7,12,14H2,1H3,(H,24,26)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300046
PNG
(CHEMBL583199 | Pentyl 6-oxo-5,6,7,12-tetrahydroind...)
Show SMILES CCCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C22H22N2O3/c1-2-3-6-11-27-22(26)14-9-10-19-16(12-14)17-13-20(25)23-18-8-5-4-7-15(18)21(17)24-19/h4-5,7-10,12,24H,2-3,6,11,13H2,1H3,(H,23,25)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404724
PNG
(CHEMBL156108)
Show SMILES OC(=O)c1cnc2cc(OCc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2c1O
Show InChI InChI=1S/C17H8Cl5NO4/c18-11-9(12(19)14(21)15(22)13(11)20)5-27-6-1-2-7-10(3-6)23-4-8(16(7)24)17(25)26/h1-4H,5H2,(H,23,24)(H,25,26)
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n/an/a 4.79E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404717
PNG
(CHEMBL157654)
Show SMILES OC(=O)c1cnc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c1O
Show InChI InChI=1S/C17H11Cl2NO4/c18-13-4-1-9(5-14(13)19)8-24-10-2-3-11-15(6-10)20-7-12(16(11)21)17(22)23/h1-7H,8H2,(H,20,21)(H,22,23)
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n/an/a 4.79E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404715
PNG
(CHEMBL351558)
Show SMILES OC(=O)c1cnc2cc(OCCOc3ccc(Br)cc3)ccc2c1O
Show InChI InChI=1S/C18H14BrNO5/c19-11-1-3-12(4-2-11)24-7-8-25-13-5-6-14-16(9-13)20-10-15(17(14)21)18(22)23/h1-6,9-10H,7-8H2,(H,20,21)(H,22,23)
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n/an/a 5.13E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50031520
PNG
(CHEMBL3359147)
Show SMILES Oc1ccc(cc1NC(=O)COc1ccc(cc1C1(N=N1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C
Show InChI InChI=1S/C30H28F3N3O5/c1-2-7-40-27(39)20-3-5-24(37)23(11-20)34-26(38)16-41-25-6-4-21(12-22(25)29(35-36-29)30(31,32)33)28-13-17-8-18(14-28)10-19(9-17)15-28/h1,3-6,11-12,17-19,37H,7-10,13-16H2,(H,34,38)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition


J Med Chem 57: 9522-38 (2014)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM23228
PNG
(Oxamic acid derivative, 6 | [(2-cyano-4-{2-[(5-hyd...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(c4)C#N)cc3o2)cc1
Show InChI InChI=1S/C29H23N3O9/c1-39-19-5-2-17(3-6-19)15-31-27(35)25-13-23(34)26-22(33)11-20(12-24(26)41-25)40-9-8-16-4-7-21(18(10-16)14-30)32-28(36)29(37)38/h2-7,10-13,33H,8-9,15H2,1H3,(H,31,35)(H,32,36)(H,37,38)
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n/an/a 5.91E+3n/an/an/an/a7.025



University of Mississippi



Assay Description
MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300048
PNG
(CHEMBL573145 | Propyl 6-oxo-5,6,7,12-tetrahydroind...)
Show SMILES CCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C20H18N2O3/c1-2-9-25-20(24)12-7-8-17-14(10-12)15-11-18(23)21-16-6-4-3-5-13(16)19(15)22-17/h3-8,10,22H,2,9,11H2,1H3,(H,21,23)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300057
PNG
(5-Benzyl-9-methyl-7,12-dihydroindolo[3,2-d][1]benz...)
Show SMILES Cc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
Show InChI InChI=1S/C24H20N2O/c1-16-11-12-21-19(13-16)20-14-23(27)26(15-17-7-3-2-4-8-17)22-10-6-5-9-18(22)24(20)25-21/h2-13,25H,14-15H2,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50400094
PNG
(CHEMBL427092)
Show SMILES COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C26H29NO5/c1-31-25(30)19-2-7-23(28)22(11-19)27-24(29)15-32-21-5-3-20(4-6-21)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18,28H,8-10,12-15H2,1H3,(H,27,29)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition


J Med Chem 57: 9522-38 (2014)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404706
PNG
(CHEMBL160792)
Show SMILES OC(=O)c1cnc2cc(OCc3ccc(Br)cc3)ccc2c1O
Show InChI InChI=1S/C17H12BrNO4/c18-11-3-1-10(2-4-11)9-23-12-5-6-13-15(7-12)19-8-14(16(13)20)17(21)22/h1-8H,9H2,(H,19,20)(H,21,22)
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n/an/a 6.76E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50031514
PNG
(CHEMBL3359141)
Show SMILES Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C
Show InChI InChI=1S/C28H29NO5/c1-2-9-33-27(32)21-3-8-25(30)24(13-21)29-26(31)17-34-23-6-4-22(5-7-23)28-14-18-10-19(15-28)12-20(11-18)16-28/h1,3-8,13,18-20,30H,9-12,14-17H2,(H,29,31)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition


J Med Chem 57: 9522-38 (2014)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300051
PNG
(5-(3,4-Dichlorobenzyl)-7,12-dihydroindolo[3,2-d][1...)
Show SMILES Clc1ccc(CN2c3ccccc3-c3[nH]c4ccccc4c3CC2=O)cc1Cl
Show InChI InChI=1S/C23H16Cl2N2O/c24-18-10-9-14(11-19(18)25)13-27-21-8-4-2-6-16(21)23-17(12-22(27)28)15-5-1-3-7-20(15)26-23/h1-11,26H,12-13H2
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n/an/a 7.90E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM23229
PNG
(Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...)
Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(OC)c4)cc3o2)cc1
Show InChI InChI=1S/C29H26N2O10/c1-38-18-6-3-17(4-7-18)15-30-27(34)25-14-22(33)26-21(32)12-19(13-24(26)41-25)40-10-9-16-5-8-20(23(11-16)39-2)31-28(35)29(36)37/h3-8,11-14,32H,9-10,15H2,1-2H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 8.48E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged MDH-2 (20 to 338) expressed in Escherichia coli using oxaloacetic acid as substrate after...


Bioorg Med Chem Lett 23: 3186-94 (2013)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300047
PNG
(Butyl 6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]ben...)
Show SMILES CCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C21H20N2O3/c1-2-3-10-26-21(25)13-8-9-18-15(11-13)16-12-19(24)22-17-7-5-4-6-14(17)20(16)23-18/h4-9,11,23H,2-3,10,12H2,1H3,(H,22,24)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50433836
PNG
(CHEMBL2382337)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H14ClN5O4S2/c20-12-3-1-11(2-4-12)17-15(9-21)18(27)25-19(24-17)30-10-16(26)23-13-5-7-14(8-6-13)31(22,28)29/h1-8H,10H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged MDH-2 (20 to 338) expressed in Escherichia coli using oxaloacetic acid as substrate after...


Bioorg Med Chem Lett 23: 3186-94 (2013)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50031518
PNG
(CHEMBL3359145)
Show SMILES Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)OCc1ccc(cc1)C1(N=N1)C(F)(F)F)C2)C(=O)OCC#C
Show InChI InChI=1/C38H34F3N3O7/c1-2-13-49-33(47)26-5-12-31(45)30(15-26)42-32(46)21-50-29-10-8-27(9-11-29)35-16-24-14-25(17-35)19-36(18-24,22-35)34(48)51-20-23-3-6-28(7-4-23)37(43-44-37)38(39,40)41/h1,3-12,15,24-25,45H,13-14,16-22H2,(H,42,46)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition


J Med Chem 57: 9522-38 (2014)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300052
PNG
(5-(4-Methylbenzyl)-7,12-dihydroindolo[3,2-d][1]ben...)
Show SMILES Cc1ccc(CN2c3ccccc3-c3[nH]c4ccccc4c3CC2=O)cc1
Show InChI InChI=1S/C24H20N2O/c1-16-10-12-17(13-11-16)15-26-22-9-5-3-7-19(22)24-20(14-23(26)27)18-6-2-4-8-21(18)25-24/h2-13,25H,14-15H2,1H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300056
PNG
(5-Benzyl-9-methoxy-7,12-dihydroindolo[3,2-d][1]ben...)
Show SMILES COc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
Show InChI InChI=1S/C24H20N2O2/c1-28-17-11-12-21-19(13-17)20-14-23(27)26(15-16-7-3-2-4-8-16)22-10-6-5-9-18(22)24(20)25-21/h2-13,25H,14-15H2,1H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404722
PNG
(CHEMBL155958)
Show SMILES OC(=O)c1cnc2cc(OCc3cccc4ccccc34)ccc2c1O
Show InChI InChI=1S/C21H15NO4/c23-20-17-9-8-15(10-19(17)22-11-18(20)21(24)25)26-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-11H,12H2,(H,22,23)(H,24,25)
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n/an/a 1.32E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300061
PNG
(CHEMBL582893 | Methyl 6-oxo-5,6,7,12-tetrahydroind...)
Show SMILES COC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C18H14N2O3/c1-23-18(22)10-6-7-15-12(8-10)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20-15/h2-8,20H,9H2,1H3,(H,19,21)
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n/an/a 1.35E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404723
PNG
(CHEMBL160167)
Show SMILES OC(=O)c1cnc2cc(OCCc3ccc(F)cc3)ccc2c1O
Show InChI InChI=1S/C18H14FNO4/c19-12-3-1-11(2-4-12)7-8-24-13-5-6-14-16(9-13)20-10-15(17(14)21)18(22)23/h1-6,9-10H,7-8H2,(H,20,21)(H,22,23)
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n/an/a 1.48E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM23231
PNG
(7-{2-[3-cyano-4-(formamidoformic acid)phenyl]ethox...)
Show SMILES OC(=O)C(=O)Nc1ccc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)cc1C#N
Show InChI InChI=1S/C21H14N2O9/c22-9-11-5-10(1-2-13(11)23-19(26)21(29)30)3-4-31-12-6-14(24)18-15(25)8-17(20(27)28)32-16(18)7-12/h1-2,5-8,24H,3-4H2,(H,23,26)(H,27,28)(H,29,30)
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n/an/a 1.71E+4n/an/an/an/a7.025



University of Mississippi



Assay Description
MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa...


J Med Chem 50: 3841-50 (2007)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404720
PNG
(CHEMBL155672)
Show SMILES OC(=O)c1cnc2cc(OCCOc3ccc(F)cc3)ccc2c1O
Show InChI InChI=1S/C18H14FNO5/c19-11-1-3-12(4-2-11)24-7-8-25-13-5-6-14-16(9-13)20-10-15(17(14)21)18(22)23/h1-6,9-10H,7-8H2,(H,20,21)(H,22,23)
PDB
MMDB

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n/an/a 1.82E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50031516
PNG
(CHEMBL3359143)
Show SMILES O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C34H33NO4/c1-2-14-38-30-10-6-26(7-11-30)33(37)27-4-3-5-29(18-27)35-32(36)22-39-31-12-8-28(9-13-31)34-19-23-15-24(20-34)17-25(16-23)21-34/h1,3-13,18,23-25H,14-17,19-22H2,(H,35,36)
PDB
MMDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition


J Med Chem 57: 9522-38 (2014)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50031517
PNG
(CHEMBL3359144)
Show SMILES O=C(Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C35H33NO4/c1-2-15-39-31-10-6-27(7-11-31)34(38)28-4-3-5-30(20-28)36-33(37)14-16-40-32-12-8-29(9-13-32)35-21-24-17-25(22-35)19-26(18-24)23-35/h1,3-14,16,20,24-26H,15,17-19,21-23H2,(H,36,37)/b16-14+
PDB
MMDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition


J Med Chem 57: 9522-38 (2014)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50031515
PNG
(CHEMBL3359142)
Show SMILES Oc1ccc(cc1NC(=O)COc1ccccc1)C(=O)OCC#C
Show InChI InChI=1S/C18H15NO5/c1-2-10-23-18(22)13-8-9-16(20)15(11-13)19-17(21)12-24-14-6-4-3-5-7-14/h1,3-9,11,20H,10,12H2,(H,19,21)
PDB
MMDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition


J Med Chem 57: 9522-38 (2014)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50300049
PNG
(CHEMBL573425 | Ethyl 6-oxo-5,6,7,12-tetrahydroindo...)
Show SMILES CCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C19H16N2O3/c1-2-24-19(23)11-7-8-16-13(9-11)14-10-17(22)20-15-6-4-3-5-12(15)18(14)21-16/h3-9,21H,2,10H2,1H3,(H,20,22)
PDB
MMDB

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n/an/a 2.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial malate dehydrogenase by spectrophotometry


Eur J Med Chem 45: 335-42 (2010)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50031521
PNG
(CHEMBL3359148)
Show SMILES Oc1ccc(cc1NC(=O)COc1ccccc1C1(N=N1)C(F)(F)F)C(=O)OCC#C
Show InChI InChI=1S/C20H14F3N3O5/c1-2-9-30-18(29)12-7-8-15(27)14(10-12)24-17(28)11-31-16-6-4-3-5-13(16)19(25-26-19)20(21,22)23/h1,3-8,10,27H,9,11H2,(H,24,28)
PDB
MMDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition


J Med Chem 57: 9522-38 (2014)

More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50031519
PNG
(CHEMBL3359146)
Show SMILES FC(F)(F)C1(N=N1)c1ccc(COC(=O)C23CC4CC(C2)CC(C4)(C3)c2ccc(OCC#C)cc2)cc1
Show InChI InChI=1/C29H27F3N2O3/c1-2-11-36-24-9-7-22(8-10-24)26-13-20-12-21(14-26)16-27(15-20,18-26)25(35)37-17-19-3-5-23(6-4-19)28(33-34-28)29(30,31)32/h1,3-10,20-21H,11-18H2
PDB
MMDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition


J Med Chem 57: 9522-38 (2014)

More data for this
Ligand-Target Pair
Malate Dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404725
PNG
(CHEMBL157710)
Show SMILES OC(=O)c1cnc2cc(OCc3ccccc3)ccc2c1O
Show InChI InChI=1S/C17H13NO4/c19-16-13-7-6-12(22-10-11-4-2-1-3-5-11)8-15(13)18-9-14(16)17(20)21/h1-9H,10H2,(H,18,19)(H,20,21)
PDB
MMDB

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n/an/a 3.24E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mitochondrial malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
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