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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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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)
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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


Citation and Details
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)
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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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