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Compile Data Set for Download or QSAR

Found 74 hits of ic50 data for polymerid = 2345,50001361   
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, cytoplasmic


(Homo sapiens (Human))		BDBM50250223
PNG
(CHEMBL4096306)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2cc(ccc2O)C(=O)OCC#C)cc1
Show InChI InChI=1S/C26H31NO5/c1-7-14-31-24(30)18-8-13-22(28)21(15-18)27-23(29)16-32-20-11-9-19(10-12-20)26(5,6)17-25(2,3)4/h1,8-13,15,28H,14,16-17H2,2-6H3,(H,27,29)
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n/an/a 920n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250242
PNG
(CHEMBL4068781)
Show SMILES COC(=O)c1cccc(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C25H33NO4/c1-24(2,3)17-25(4,5)19-10-12-21(13-11-19)30-15-14-22(27)26-20-9-7-8-18(16-20)23(28)29-6/h7-13,16H,14-15,17H2,1-6H3,(H,26,27)
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n/an/a 1.07E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50400094
PNG
(CHEMBL427092)
Show SMILES COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
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 1.10E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of MDH1 (unknown origin)

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250235
PNG
(CHEMBL4065526)
Show SMILES COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H31NO5/c1-23(2,3)15-24(4,5)17-8-10-18(11-9-17)30-14-21(27)25-19-13-16(22(28)29-6)7-12-20(19)26/h7-13,26H,14-15H2,1-6H3,(H,25,27)
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n/an/a 1.14E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250244
PNG
(CHEMBL4091027)
Show SMILES COC(=O)c1cccc(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C26H35NO4/c1-25(2,3)18-26(4,5)20-12-14-22(15-13-20)31-16-8-11-23(28)27-21-10-7-9-19(17-21)24(29)30-6/h7,9-10,12-15,17H,8,11,16,18H2,1-6H3,(H,27,28)
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n/an/a 1.18E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250220
PNG
(CHEMBL4098767)
Show SMILES COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:29:24:31:28.27.30,29:28:31:25.24.23,THB:23:24:27:31.22.30,23:22:25.24.29:27|
Show InChI InChI=1S/C28H33NO4/c1-27(2,26(31)29-23-6-4-5-21(14-23)25(30)32-3)33-24-9-7-22(8-10-24)28-15-18-11-19(16-28)13-20(12-18)17-28/h4-10,14,18-20H,11-13,15-17H2,1-3H3,(H,29,31)
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n/an/a 1.31E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250243
PNG
(CHEMBL4074947)
Show SMILES COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C26H35NO4/c1-24(2,3)17-25(4,5)19-12-14-21(15-13-19)31-26(6,7)23(29)27-20-11-9-10-18(16-20)22(28)30-8/h9-16H,17H2,1-8H3,(H,27,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250218
PNG
(CHEMBL4074694)
Show SMILES COC(=O)c1ccc(O)c(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C25H33NO5/c1-24(2,3)16-25(4,5)18-8-10-19(11-9-18)31-14-13-22(28)26-20-15-17(23(29)30-6)7-12-21(20)27/h7-12,15,27H,13-14,16H2,1-6H3,(H,26,28)
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n/an/a 1.54E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250231
PNG
(CHEMBL4068233)
Show SMILES COC(=O)c1ccc(OC)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C25H33NO5/c1-24(2,3)16-25(4,5)18-9-11-19(12-10-18)31-15-22(27)26-20-14-17(23(28)30-7)8-13-21(20)29-6/h8-14H,15-16H2,1-7H3,(H,26,27)
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n/an/a 2.27E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250230
PNG
(CHEMBL4087903)
Show SMILES COC(=O)c1ccc(OCC#C)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C27H33NO5/c1-8-15-32-23-14-9-19(25(30)31-7)16-22(23)28-24(29)17-33-21-12-10-20(11-13-21)27(5,6)18-26(2,3)4/h1,9-14,16H,15,17-18H2,2-7H3,(H,28,29)
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n/an/a 2.43E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250219
PNG
(CHEMBL4095380)
Show SMILES COC(=O)c1ccc(O)c(NC(=O)C(C)(C)Oc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C26H35NO5/c1-24(2,3)16-25(4,5)18-10-12-19(13-11-18)32-26(6,7)23(30)27-20-15-17(22(29)31-8)9-14-21(20)28/h9-15,28H,16H2,1-8H3,(H,27,30)
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n/an/a 3.00E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250226
PNG
(CHEMBL4099949)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1
Show InChI InChI=1S/C27H39N3O2/c1-26(2,3)20-27(4,5)21-7-13-24(14-8-21)32-19-25(31)28-22-9-11-23(12-10-22)30-17-15-29(6)16-18-30/h7-14H,15-20H2,1-6H3,(H,28,31)
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n/an/a 3.00E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250227
PNG
(CHEMBL4073085)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H28F3NO2/c1-21(2,3)15-22(4,5)16-8-12-19(13-9-16)29-14-20(28)27-18-10-6-17(7-11-18)23(24,25)26/h6-13H,14-15H2,1-5H3,(H,27,28)
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n/an/a 3.44E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250245
PNG
(CHEMBL4086789)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1
Show InChI InChI=1S/C28H37F3N2O2/c1-26(2,3)20-27(4,5)22-10-12-24(13-11-22)35-19-25(34)33-16-14-32(15-17-33)18-21-6-8-23(9-7-21)28(29,30)31/h6-13H,14-20H2,1-5H3
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n/an/a 4.74E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
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)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250221
PNG
(CHEMBL4080721)
Show SMILES COC(=O)c1ccc(O)c(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C26H35NO5/c1-25(2,3)17-26(4,5)19-10-12-20(13-11-19)32-15-7-8-23(29)27-21-16-18(24(30)31-6)9-14-22(21)28/h9-14,16,28H,7-8,15,17H2,1-6H3,(H,27,29)
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n/an/a 5.16E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
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 |(-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 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)


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


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250236
PNG
(CHEMBL4105436)
Show SMILES COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H31NO4/c1-23(2,3)16-24(4,5)18-10-12-20(13-11-18)29-15-21(26)25-19-9-7-8-17(14-19)22(27)28-6/h7-14H,15-16H2,1-6H3,(H,25,26)
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n/an/a 6.65E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		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 6.78E+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 ...

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


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250238
PNG
(CHEMBL4085170)
Show SMILES CCCCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1
Show InChI InChI=1S/C21H25NO4/c1-3-4-5-7-16-10-12-19(13-11-16)26-15-20(23)22-18-9-6-8-17(14-18)21(24)25-2/h6,8-14H,3-5,7,15H2,1-2H3,(H,22,23)
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n/an/a 6.79E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250248
PNG
(CHEMBL4078740)
Show SMILES CCCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1
Show InChI InChI=1S/C20H23NO4/c1-3-4-6-15-9-11-18(12-10-15)25-14-19(22)21-17-8-5-7-16(13-17)20(23)24-2/h5,7-13H,3-4,6,14H2,1-2H3,(H,21,22)
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n/an/a 9.58E+3n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		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-1 (3 to 334) expressed in Escherichia coli using oxaloacetic acid as substrate after ...

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


Article DOI: 10.1016/j.bmcl.2013.04.001
BindingDB Entry DOI: 10.7270/Q29C6ZTT
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50512584
PNG
(CHEMBL4443265)
Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(C(O)=O)c1cccnc1
Show InChI InChI=1S/C26H21Cl2N3O4/c1-31-20-9-8-19(27)23(28)18(20)11-21(31)24(32)30-26(13-35-14-26)17-6-4-15(5-7-17)22(25(33)34)16-3-2-10-29-12-16/h2-12,22H,13-14H2,1H3,(H,30,32)(H,33,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Meyer Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MDH1 expressed in Escherichia coli using malate as substrate incubated for 30 mins followed by substrate addition

Bioorg Med Chem Lett 29: 2503-2510 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.011
BindingDB Entry DOI: 10.7270/Q27D2ZGJ
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50512580
PNG
(CHEMBL4585294)
Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@@H](O)c1cccnc1 |r|
Show InChI InChI=1S/C25H21Cl2N3O3/c1-30-20-9-8-19(26)22(27)18(20)11-21(30)24(32)29-25(13-33-14-25)17-6-4-15(5-7-17)23(31)16-3-2-10-28-12-16/h2-12,23,31H,13-14H2,1H3,(H,29,32)/t23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Meyer Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MDH1 expressed in Escherichia coli using malate as substrate incubated for 30 mins followed by substrate addition

Bioorg Med Chem Lett 29: 2503-2510 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.011
BindingDB Entry DOI: 10.7270/Q27D2ZGJ
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50512574
PNG
(CHEMBL4471410)
Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16Cl2N2O4/c1-24-15-7-6-14(21)17(22)13(15)8-16(24)18(25)23-20(9-28-10-20)12-4-2-11(3-5-12)19(26)27/h2-8H,9-10H2,1H3,(H,23,25)(H,26,27)
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Meyer Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MDH1 expressed in Escherichia coli using malate as substrate incubated for 30 mins followed by substrate addition

Bioorg Med Chem Lett 29: 2503-2510 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.011
BindingDB Entry DOI: 10.7270/Q27D2ZGJ
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50512575
PNG
(CHEMBL4554985)
Show SMILES OC[C@@H](NC(=O)c1cc2cc(Cl)c(OC[C@@H]3CNC(=O)O3)cc2[nH]1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1
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Meyer Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MDH1 expressed in Escherichia coli using malate as substrate incubated for 30 mins followed by substrate addition

Bioorg Med Chem Lett 29: 2503-2510 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.011
BindingDB Entry DOI: 10.7270/Q27D2ZGJ
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)


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


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250217
PNG
(CHEMBL4095604)
Show SMILES COCCOc1ccc(cc1NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)C(=O)OC
Show InChI InChI=1S/C27H37NO6/c1-26(2,3)18-27(4,5)20-9-11-21(12-10-20)34-17-24(29)28-22-16-19(25(30)32-7)8-13-23(22)33-15-14-31-6/h8-13,16H,14-15,17-18H2,1-7H3,(H,28,29)
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n/an/a 1.84E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM31770
PNG
(Exelderm | Sulconazole Nitrate | cid_65495 | sulco...)
Show SMILES Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of malate dehydrogenase (MDH)

J Med Chem 46: 4477-86 (2003)


Article DOI: 10.1021/jm030191r
BindingDB Entry DOI: 10.7270/Q2X34Z5C
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
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n/an/a 2.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of malate dehydrogenase (MDH)

J Med Chem 46: 4477-86 (2003)


Article DOI: 10.1021/jm030191r
BindingDB Entry DOI: 10.7270/Q2X34Z5C
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 2.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of malate dehydrogenase (MDH)

J Med Chem 46: 4477-86 (2003)


Article DOI: 10.1021/jm030191r
BindingDB Entry DOI: 10.7270/Q2X34Z5C
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250222
PNG
(CHEMBL4069043)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NC23CC4CC(CC(O)(C4)C2)C3)cc1 |TLB:27:17:25:22.21.20,16:17:25:22.21.20,THB:22:23:18:27.21.20,22:21:18:25.23.26,27:21:25:17.18.26,24:23:18:27.21.20|
Show InChI InChI=1S/C26H39NO3/c1-23(2,3)16-24(4,5)20-6-8-21(9-7-20)30-15-22(28)27-25-11-18-10-19(12-25)14-26(29,13-18)17-25/h6-9,18-19,29H,10-17H2,1-5H3,(H,27,28)
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n/an/a 2.60E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
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)


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


(Homo sapiens (Human))		BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 3.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of malate dehydrogenase (MDH)

J Med Chem 46: 4477-86 (2003)


Article DOI: 10.1021/jm030191r
BindingDB Entry DOI: 10.7270/Q2X34Z5C
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250247
PNG
(CHEMBL4103353)
Show SMILES COC(=O)c1ccc(OCCCN2CCOCC2)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:37:32:39:38.36.35,37:36:39:33.32.31,33:34:38:32.37.31,THB:33:32:38:39.34.35|
Show InChI InChI=1S/C33H42N2O6/c1-38-32(37)26-3-8-30(40-12-2-9-35-10-13-39-14-11-35)29(18-26)34-31(36)22-41-28-6-4-27(5-7-28)33-19-23-15-24(20-33)17-25(16-23)21-33/h3-8,18,23-25H,2,9-17,19-22H2,1H3,(H,34,36)
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n/an/a>4.00E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250232
PNG
(CHEMBL4079103)
Show SMILES COC(=O)c1ccc(OCCN2CCCC2)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:35:30:37:36.34.33,35:34:37:31.30.29,31:32:36:30.35.29,THB:31:30:36:37.32.33|
Show InChI InChI=1S/C32H40N2O5/c1-37-31(36)25-4-9-29(38-13-12-34-10-2-3-11-34)28(17-25)33-30(35)21-39-27-7-5-26(6-8-27)32-18-22-14-23(19-32)16-24(15-22)20-32/h4-9,17,22-24H,2-3,10-16,18-21H2,1H3,(H,33,35)
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n/an/a>4.00E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250250
PNG
(CHEMBL4087563)
Show SMILES COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C2CCCCC2)c1
Show InChI InChI=1S/C22H25NO4/c1-26-22(25)18-8-5-9-19(14-18)23-21(24)15-27-20-12-10-17(11-13-20)16-6-3-2-4-7-16/h5,8-14,16H,2-4,6-7,15H2,1H3,(H,23,24)
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n/an/a>4.00E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250249
PNG
(CHEMBL4073732)
Show SMILES COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C17H14F3NO4/c1-24-16(23)11-3-2-4-13(9-11)21-15(22)10-25-14-7-5-12(6-8-14)17(18,19)20/h2-9H,10H2,1H3,(H,21,22)
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n/an/a>4.00E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250225
PNG
(CHEMBL4060357)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N2CCN(CC#C)CC2)cc1
Show InChI InChI=1S/C23H34N2O2/c1-7-12-24-13-15-25(16-14-24)21(26)17-27-20-10-8-19(9-11-20)23(5,6)18-22(2,3)4/h1,8-11H,12-18H2,2-6H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250239
PNG
(CHEMBL4089556)
Show SMILES CCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1
Show InChI InChI=1S/C19H21NO4/c1-3-5-14-8-10-17(11-9-14)24-13-18(21)20-16-7-4-6-15(12-16)19(22)23-2/h4,6-12H,3,5,13H2,1-2H3,(H,20,21)
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n/an/a>4.00E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250240
PNG
(CHEMBL4076058)
Show SMILES COC(=O)c1cccc(NC(=O)COc2ccc(C)cc2)c1
Show InChI InChI=1S/C17H17NO4/c1-12-6-8-15(9-7-12)22-11-16(19)18-14-5-3-4-13(10-14)17(20)21-2/h3-10H,11H2,1-2H3,(H,18,19)
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n/an/a>4.00E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250237
PNG
(CHEMBL4067849)
Show SMILES COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C2CCCC2)c1
Show InChI InChI=1S/C21H23NO4/c1-25-21(24)17-7-4-8-18(13-17)22-20(23)14-26-19-11-9-16(10-12-19)15-5-2-3-6-15/h4,7-13,15H,2-3,5-6,14H2,1H3,(H,22,23)
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n/an/a>4.00E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250216
PNG
(CHEMBL4086585)
Show SMILES CCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1
Show InChI InChI=1S/C18H19NO4/c1-3-13-7-9-16(10-8-13)23-12-17(20)19-15-6-4-5-14(11-15)18(21)22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
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n/an/a>4.00E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250241
PNG
(CHEMBL4090211)
Show SMILES COC(=O)c1cccc(NC(=O)COc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C16H14N2O6/c1-23-16(20)11-3-2-4-12(9-11)17-15(19)10-24-14-7-5-13(6-8-14)18(21)22/h2-9H,10H2,1H3,(H,17,19)
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n/an/a>4.00E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50250246
PNG
(CHEMBL4059591)
Show SMILES COC(=O)c1ccc(OCCN2CCOCC2)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C30H42N2O6/c1-29(2,3)21-30(4,5)23-8-10-24(11-9-23)38-20-27(33)31-25-19-22(28(34)35-6)7-12-26(25)37-18-15-32-13-16-36-17-14-32/h7-12,19H,13-18,20-21H2,1-6H3,(H,31,33)
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n/an/a>4.00E+4n/an/an/an/an/an/a



College of Pharmacy, Dongguk University , Goyang 10326, Korea.

Curated by ChEMBL


Assay Description
Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay

J Med Chem 60: 8631-8646 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01231
BindingDB Entry DOI: 10.7270/Q2QZ2DCF
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic


(Homo sapiens (Human))		BDBM50367298
PNG
(Cardene | NICARDIPINE)
Show SMILES COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,22,24H,13-14,16H2,1-4H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of malate dehydrogenase (MDH)

J Med Chem 46: 4477-86 (2003)


Article DOI: 10.1021/jm030191r
BindingDB Entry DOI: 10.7270/Q2X34Z5C
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
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)


BindingDB Entry DOI: 10.7270/Q2DR2WQV
More data for this
Ligand-Target Pair
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