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Compile Data Set for Download or QSAR

Found 96 hits of ic50 data for polymerid = 2344   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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Article
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n/an/a 390n/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)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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/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)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
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 |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
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/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)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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/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)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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/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)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
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


J Med Chem 25: 57-63 (1982)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)
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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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(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 3.80E+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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404704
PNG
(CHEMBL156384)
Show SMILES OC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1O
Show InChI InChI=1S/C17H12FNO4/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 3.98E+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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50404719
PNG
(CHEMBL157580)
Show SMILES OC(=O)c1cnc2cc(OCCOc3ccccc3)ccc2c1O
Show InChI InChI=1S/C18H15NO5/c20-17-14-7-6-13(10-16(14)19-11-15(17)18(21)22)24-9-8-23-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20)(H,21,22)
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n/an/a 6.03E+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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522524
PNG
(CHEMBL4462640)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C20H13F3N2O3S/c21-20(22,23)15-5-1-4-8-18(15)29(26,27)25-14-11-9-13(10-12-14)19-24-16-6-2-3-7-17(16)28-19/h1-12,25H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522576
PNG
(CHEMBL4567660)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C20H15ClN2O4S/c1-26-18-11-8-14(21)12-19(18)28(24,25)23-15-9-6-13(7-10-15)20-22-16-4-2-3-5-17(16)27-20/h2-12,23H,1H3
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522540
PNG
(CHEMBL4447680)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C20H16N2O4S/c1-25-16-5-4-6-17(13-16)27(23,24)22-15-11-9-14(10-12-15)20-21-18-7-2-3-8-19(18)26-20/h2-13,22H,1H3
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522579
PNG
(CHEMBL4463791)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C17H11ClN2O3S2/c18-15-8-9-16(24-15)25(21,22)20-12-6-7-14-13(10-12)19-17(23-14)11-4-2-1-3-5-11/h1-10,20H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522581
PNG
(CHEMBL4556062)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C19H12ClN3O5S/c20-15-8-7-14(11-17(15)23(24)25)29(26,27)22-13-6-9-18-16(10-13)21-19(28-18)12-4-2-1-3-5-12/h1-11,22H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522572
PNG
(CHEMBL4542758)
Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2ccccc2o1)c1cccs1
Show InChI InChI=1S/C17H12N2O3S2/c20-24(21,16-6-3-11-23-16)19-13-9-7-12(8-10-13)17-18-14-4-1-2-5-15(14)22-17/h1-11,19H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522601
PNG
(CHEMBL4513591)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C19H13ClN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522556
PNG
(CHEMBL4583096)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C20H13F3N2O3S/c21-20(22,23)14-7-11-16(12-8-14)29(26,27)25-15-9-5-13(6-10-15)19-24-17-3-1-2-4-18(17)28-19/h1-12,25H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522544
PNG
(CHEMBL4449221)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C19H12ClN3O5S/c20-15-10-9-14(11-17(15)23(24)25)29(26,27)22-13-7-5-12(6-8-13)19-21-16-3-1-2-4-18(16)28-19/h1-11,22H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522558
PNG
(CHEMBL4456802)
Show SMILES C=Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C21H16N2O3S/c1-2-15-7-13-18(14-8-15)27(24,25)23-17-11-9-16(10-12-17)21-22-19-5-3-4-6-20(19)26-21/h2-14,23H,1H2
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522600
PNG
(CHEMBL4567422)
Show SMILES Oc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C19H14N2O4S/c22-15-4-3-5-16(12-15)26(23,24)21-14-10-8-13(9-11-14)19-20-17-6-1-2-7-18(17)25-19/h1-12,21-22H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522557
PNG
(CHEMBL4464948)
Show SMILES Fc1ccccc1S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-8-4-5-9-18(15)26(23,24)22-14-10-11-17-16(12-14)21-19(25-17)13-6-2-1-3-7-13/h1-12,22H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522599
PNG
(CHEMBL4584952)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C19H13ClN2O3S/c20-14-6-9-16(10-7-14)26(23,24)22-15-8-11-18-17(12-15)21-19(25-18)13-4-2-1-3-5-13/h1-12,22H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522541
PNG
(CHEMBL4434992)
Show SMILES Fc1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H12F4N2O3S/c21-16-8-7-14(11-15(16)20(22,23)24)30(27,28)26-13-6-9-18-17(10-13)25-19(29-18)12-4-2-1-3-5-12/h1-11,26H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522582
PNG
(CHEMBL4586199)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O3S/c1-14-7-5-6-10-19(14)26(23,24)22-16-11-12-18-17(13-16)21-20(25-18)15-8-3-2-4-9-15/h2-13,22H,1H3
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522521
PNG
(CHEMBL4449832)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O4S/c1-25-16-8-5-9-17(13-16)27(23,24)22-15-10-11-19-18(12-15)21-20(26-19)14-6-3-2-4-7-14/h2-13,22H,1H3
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522543
PNG
(CHEMBL4446756)
Show SMILES Clc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C19H13ClN2O3S/c20-15-5-1-4-8-18(15)26(23,24)22-14-11-9-13(10-12-14)19-21-16-6-2-3-7-17(16)25-19/h1-12,22H
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522532
PNG
(CHEMBL4532359)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C21H18N2O3S/c1-2-15-7-13-18(14-8-15)27(24,25)23-17-11-9-16(10-12-17)21-22-19-5-3-4-6-20(19)26-21/h3-14,23H,2H2,1H3
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522539
PNG
(CHEMBL4462237)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O3S/c1-14-6-5-9-17(12-14)26(23,24)22-16-10-11-19-18(13-16)21-20(25-19)15-7-3-2-4-8-15/h2-13,22H,1H3
PDB
MMDB

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n/an/a>6.30E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522542
PNG
(CHEMBL4450124)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O4S/c1-25-16-8-10-17(11-9-16)27(23,24)22-15-7-12-19-18(13-15)21-20(26-19)14-5-3-2-4-6-14/h2-13,22H,1H3
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MMDB

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n/an/a>6.30E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522550
PNG
(CHEMBL4447607)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C19H13FN2O3S/c20-14-6-9-16(10-7-14)26(23,24)22-15-8-11-18-17(12-15)21-19(25-18)13-4-2-1-3-5-13/h1-12,22H
PDB
MMDB

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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522526
PNG
(CHEMBL4541977)
Show SMILES Fc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-5-1-4-8-18(15)26(23,24)22-14-11-9-13(10-12-14)19-21-16-6-2-3-7-17(16)25-19/h1-12,22H
PDB
MMDB

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n/an/a>6.30E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522578
PNG
(CHEMBL1448646)
Show SMILES O=S(=O)(Nc1ccc2oc(nc2c1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H14N2O3S/c22-25(23,16-9-5-2-6-10-16)21-15-11-12-18-17(13-15)20-19(24-18)14-7-3-1-4-8-14/h1-13,21H
PDB
MMDB

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n/an/a>6.30E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522533
PNG
(CHEMBL4570232)
Show SMILES Oc1ccccc1S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C19H14N2O4S/c22-16-8-4-5-9-18(16)26(23,24)21-14-10-11-17-15(12-14)20-19(25-17)13-6-2-1-3-7-13/h1-12,21-22H
PDB
MMDB

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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522535
PNG
(CHEMBL4458229)
Show SMILES Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C19H14N2O4S/c22-15-9-11-16(12-10-15)26(23,24)21-14-7-5-13(6-8-14)19-20-17-3-1-2-4-18(17)25-19/h1-12,21-22H
PDB
MMDB

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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522536
PNG
(CHEMBL4471032)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H13F3N2O3S/c21-20(22,23)15-8-4-5-9-18(15)29(26,27)25-14-10-11-17-16(12-14)24-19(28-17)13-6-2-1-3-7-13/h1-12,25H
PDB
MMDB

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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Sus scrofa (pig))
BDBM50522537
PNG
(CHEMBL4444550)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O3S/c1-14-7-10-17(11-8-14)26(23,24)22-16-9-12-19-18(13-16)21-20(25-19)15-5-3-2-4-6-15/h2-13,22H,1H3
PDB
MMDB

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n/an/a>6.30E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...


Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair
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