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Compile Data Set for Download or QSAR

Found 140 hits Enz. Inhib. hit(s) with Target = 'Malate dehydrogenase'   
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


(Thermus thermophilus)
BDBM59100
PNG
(Bi-ligand, 3)
Show SMILES Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4ccc(O)c(O)c4)C3=O)cc2)cc1
Show InChI InChI=1S/C25H20N2O5S2/c1-15-2-7-18(8-3-15)32-19-9-5-17(6-10-19)26-23(30)14-27-24(31)22(34-25(27)33)13-16-4-11-20(28)21(29)12-16/h2-13,28-29H,14H2,1H3,(H,26,30)/b22-13-
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n/an/a 400n/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS

Curated by ChEMBL


Assay Description
Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in absence of 0.01% Triton X100 by U...


Citation and Details
More data for this
Ligand-Target Pair
Malate dehydrogenase


(Thermus thermophilus)
BDBM50044967
PNG
(CHEMBL3309759)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)cc1O
Show InChI InChI=1S/C24H17ClN2O5S2/c25-15-2-6-17(7-3-15)32-18-8-4-16(5-9-18)26-22(30)13-27-23(31)21(34-24(27)33)12-14-1-10-19(28)20(29)11-14/h1-12,28-29H,13H2,(H,26,30)/b21-12-
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n/an/a 500n/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS

Curated by ChEMBL


Assay Description
Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in absence of 0.01% Triton X100 by U...


Citation and Details
More data for this
Ligand-Target Pair
Malate dehydrogenase


(Thermus thermophilus)
BDBM50126829
PNG
((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...)
Show SMILES CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O
Show InChI InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3
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n/an/a 700n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus


Citation and Details
More data for this
Ligand-Target Pair
Malate dehydrogenase


(Thermus thermophilus)
BDBM50044973
PNG
(CHEMBL3309761)
Show SMILES Oc1cccc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c1O
Show InChI InChI=1S/C24H17ClN2O5S2/c25-15-4-8-17(9-5-15)32-18-10-6-16(7-11-18)26-21(29)13-27-23(31)20(34-24(27)33)12-14-2-1-3-19(28)22(14)30/h1-12,28,30H,13H2,(H,26,29)/b20-12-
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n/an/a 700n/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS

Curated by ChEMBL


Assay Description
Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in absence of 0.01% Triton X100 by U...


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


(Thermus thermophilus)
BDBM50044971
PNG
(CHEMBL3309760)
Show SMILES Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4cccc(O)c4O)C3=O)cc2)cc1
Show InChI InChI=1S/C25H20N2O5S2/c1-15-5-9-18(10-6-15)32-19-11-7-17(8-12-19)26-22(29)14-27-24(31)21(34-25(27)33)13-16-3-2-4-20(28)23(16)30/h2-13,28,30H,14H2,1H3,(H,26,29)/b21-13-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS

Curated by ChEMBL


Assay Description
Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in absence of 0.01% Triton X100 by U...


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


(Thermus thermophilus)
BDBM50044974
PNG
(CHEMBL3309762)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c(O)c1
Show InChI InChI=1S/C24H17ClN2O5S2/c25-15-2-7-18(8-3-15)32-19-9-4-16(5-10-19)26-22(30)13-27-23(31)21(34-24(27)33)11-14-1-6-17(28)12-20(14)29/h1-12,28-29H,13H2,(H,26,30)/b21-11-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS

Curated by ChEMBL


Assay Description
Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in absence of 0.01% Triton X100 by U...


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)
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)
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)
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 (pfMDH)


(Plasmodium falciparum)
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 2.03E+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))
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 (pfMDH)


(Plasmodium falciparum)
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 2.66E+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)
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


(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


(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


(Thermus thermophilus)
BDBM50044975
PNG
(CHEMBL3309763)
Show SMILES ONC(=O)CN1C(=S)S\C(=C/c2ccc(O)c(O)c2)C1=O
Show InChI InChI=1S/C12H10N2O5S2/c15-7-2-1-6(3-8(7)16)4-9-11(18)14(12(20)21-9)5-10(17)13-19/h1-4,15-16,19H,5H2,(H,13,17)/b9-4-
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n/an/a 3.40E+3n/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS

Curated by ChEMBL


Assay Description
Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in absence of 0.01% Triton X100 by U...


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


(Thermus thermophilus)
BDBM50044976
PNG
(CHEMBL2316879)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(O)c(O)c2)C1=O
Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/b9-4-
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n/an/a 4.70E+3n/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS

Curated by ChEMBL


Assay Description
Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in absence of 0.01% Triton X100 by U...


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 cytoplasmic


(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 4.88E+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))
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 cytoplasmic


(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 5.80E+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))
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


(Thermus thermophilus)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 6.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus


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 cytoplasmic


(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)
PDB
MMDB

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n/an/a 6.31E+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...


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More data for this
Ligand-Target Pair
Malate Dehydrogenase (pfMDH)


(Plasmodium falciparum)
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 6.76E+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))
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)
PDB
MMDB

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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 cytoplasmic


(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)
PDB
MMDB

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n/an/a 6.78E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged MDH-1 (3 to 334) 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)
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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MMDB

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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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MMDB

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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


(Thermus thermophilus)
BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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MMDB

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n/an/a 8.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus


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)
PDB
MMDB

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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
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