Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '4-hydroxy-2-oxoglutarate aldolase, mitochondrial' and Ligand = 'BDBM267939'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267939 ((3aR,5R,6S,7R,7aR)-2-(ethylamino)- 5-((methylamino...) Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CNC)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C10H19N3O3S/c1-3-12-10-13-6-8(15)7(14)5(4-11-2)16-9(6)17-10/h5-9,11,14-15H,3-4H2,1-2H3,(H,12,13)/t5-,6-,7-,8-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.60	-47.1	n/a	n/a	n/a	n/a	n/a	7.0	25
Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp. US Patent					Assay Description Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
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