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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Malate dehydrogenase, mitochondrial' and Ligand = 'BDBM50031518'   
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


(Homo sapiens (Human))		BDBM50031518
PNG
(CHEMBL3359145)
Show SMILES Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)OCc1ccc(cc1)C1(N=N1)C(F)(F)F)C2)C(=O)OCC#C |c:43,TLB:44:18:25:21.22.23,15:18:25:21.22.23,15:18:25.20.21:23,THB:19:20:23:26.18.44,19:18:25.20.21:23,44:22:25:26.19.18|
Show InChI InChI=1S/C38H34F3N3O7/c1-2-13-49-33(47)26-5-12-31(45)30(15-26)42-32(46)21-50-29-10-8-27(9-11-29)35-16-24-14-25(17-35)19-36(18-24,22-35)34(48)51-20-23-3-6-28(7-4-23)37(43-44-37)38(39,40)41/h1,3-12,15,24-25,45H,13-14,16-22H2,(H,42,46)
PDB
MMDB

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Similars
Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition

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