Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase, cytosolic 1' and Ligand = 'BDBM50085551'   

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
Aldehyde dehydrogenase, cytosolic 1 (Rattus norvegicus)	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat cytosolic aldehyde dehydrogenase				J Nat Prod 60: 1180-1182 (1997) Article DOI: 10.1021/np9703104 BindingDB Entry DOI: 10.7270/Q2DR2VHR
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