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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Malate dehydrogenase cytoplasmic' AND taxid = 9823   
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 cytoplasmic


(Sus scrofa (pig))
BDBM50421763
PNG
(CHEMBL2364562)
Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1
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3.63E+4n/an/an/an/an/an/an/an/a



University of Rochester Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig heart cytoplasmic malate dehydrogenase (MDH)


J Med Chem 33: 1123-7 (1990)

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/an/an/a



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 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/an/an/a



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 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)
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n/an/a 6.31E+3n/an/an/an/an/an/a



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 cytoplasmic


(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 1.09E+4n/an/an/an/an/an/a



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 cytoplasmic


(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 1.36E+4n/an/an/an/an/an/a



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 cytoplasmic


(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 3.09E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(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 6.17E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(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 7.24E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(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 8.13E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(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 9.12E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404729
PNG
(CHEMBL351540)
Show SMILES OC(=O)c1cnc2cc(OCCc3ccccc3)ccc2c1O
Show InChI InChI=1S/C18H15NO4/c20-17-14-7-6-13(10-16(14)19-11-15(17)18(21)22)23-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20)(H,21,22)
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n/an/a 1.55E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM23224
PNG
(7-{[4-(formamidoformic acid)-3-methoxyphenyl]metho...)
Show SMILES COc1cc(COc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)ccc1NC(=O)C(O)=O
Show InChI InChI=1S/C20H15NO10/c1-29-14-4-9(2-3-11(14)21-18(24)20(27)28)8-30-10-5-12(22)17-13(23)7-16(19(25)26)31-15(17)6-10/h2-7,22H,8H2,1H3,(H,21,24)(H,25,26)(H,27,28)
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n/an/a>2.32E+5n/an/an/an/an/an/a



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 cytoplasmic


(Sus scrofa (pig))
BDBM50404727
PNG
(CHEMBL138298)
Show SMILES CN(C)c1ccc2c(O)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C12H12N2O3/c1-14(2)7-3-4-8-10(5-7)13-6-9(11(8)15)12(16)17/h3-6H,1-2H3,(H,13,15)(H,16,17)
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n/an/a 3.72E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404711
PNG
(CHEMBL343799)
Show SMILES CS(=O)(=O)c1ccc2c(O)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C11H9NO5S/c1-18(16,17)6-2-3-7-9(4-6)12-5-8(10(7)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
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n/an/a 4.37E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404708
PNG
(CHEMBL160456)
Show SMILES NC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C11H8N2O4/c12-10(15)5-1-2-6-8(3-5)13-4-7(9(6)14)11(16)17/h1-4H,(H2,12,15)(H,13,14)(H,16,17)
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n/an/a 6.03E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404716
PNG
(CHEMBL139402)
Show SMILES NS(=O)(=O)c1ccc2c(O)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C10H8N2O5S/c11-18(16,17)5-1-2-6-8(3-5)12-4-7(9(6)13)10(14)15/h1-4H,(H,12,13)(H,14,15)(H2,11,16,17)
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n/an/a 6.92E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404713
PNG
(CHEMBL141025)
Show SMILES CC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C12H9NO4/c1-6(14)7-2-3-8-10(4-7)13-5-9(11(8)15)12(16)17/h2-5H,1H3,(H,13,15)(H,16,17)
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n/an/a 9.12E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404707
PNG
(CHEMBL138027)
Show SMILES OC(=O)c1cnc2cc(O)ccc2c1O
Show InChI InChI=1S/C10H7NO4/c12-5-1-2-6-8(3-5)11-4-7(9(6)13)10(14)15/h1-4,12H,(H,11,13)(H,14,15)
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n/an/a 9.55E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404701
PNG
(CHEMBL139244)
Show SMILES OC(=O)c1cnc2cc(ccc2c1O)[N+]([O-])=O
Show InChI InChI=1S/C10H6N2O5/c13-9-6-2-1-5(12(16)17)3-8(6)11-4-7(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
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n/an/a 1.20E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404728
PNG
(CHEMBL139078)
Show SMILES OC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C11H7NO5/c13-9-6-2-1-5(10(14)15)3-8(6)12-4-7(9)11(16)17/h1-4H,(H,12,13)(H,14,15)(H,16,17)
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n/an/a 1.29E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM23222
PNG
(Oxalamic acid | Oxamate | Oxamate, 3 | Oxamidic Ac...)
Show SMILES NC(=O)C(O)=O
Show InChI InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
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n/an/a>2.00E+6n/an/an/an/an/an/a



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 cytoplasmic


(Sus scrofa (pig))
BDBM50404712
PNG
(CHEMBL1161215)
Show SMILES OC(=O)c1cnc2cc(ccc2c1O)S(O)(=O)=O
Show InChI InChI=1S/C10H7NO6S/c12-9-6-2-1-5(18(15,16)17)3-8(6)11-4-7(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 3.09E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404718
PNG
(CHEMBL344461)
Show SMILES OC(=O)c1cnc2cc(Cl)ccc2c1O
Show InChI InChI=1S/C10H6ClNO3/c11-5-1-2-6-8(3-5)12-4-7(9(6)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 4.68E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Sus scrofa (pig))
BDBM50404721
PNG
(CHEMBL345688)
Show SMILES OC(=O)c1cnc2cc(F)ccc2c1O
Show InChI InChI=1S/C10H6FNO3/c11-5-1-2-6-8(3-5)12-4-7(9(6)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.10E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit cytoplasmic malate dehydrogenase


J Med Chem 25: 57-63 (1982)

More data for this
Ligand-Target Pair