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Compile Data Set for Download or QSAR

Found 3 hits of ki for UniProtKB: P40926   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Malate dehydrogenase, mitochondrial


(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)
PDB
MMDB

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Article
PubMed
950n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Competitive inhibition of human MDH2 using oxaloacetic acid as substrate in presence of NADH after 30 mins by double reciprocal plot analysis


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, mitochondrial


(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)
PDB
MMDB

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MCE
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Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Competitive inhibition of MDH2 (unknown origin) using varying NADH level by oxaloacetate-dependent NADH oxidation based Lineweaver-Burk plot


J Med Chem 57: 9522-38 (2014)


Article DOI: 10.1021/jm501241g
BindingDB Entry DOI: 10.7270/Q2N87CCD
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens (Human))
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 |c:21,TLB:15:25:28.27.32:30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25,15:25:28:32.31.30|
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)
PDB
MMDB

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Article
PubMed
4.30E+3n/an/an/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Competitive inhibition of MDH2 (unknown origin) using varying NADH level by oxaloacetate-dependent NADH oxidation based Lineweaver-Burk plot


J Med Chem 57: 9522-38 (2014)


Article DOI: 10.1021/jm501241g
BindingDB Entry DOI: 10.7270/Q2N87CCD
More data for this
Ligand-Target Pair