Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-aminolevulinic acid dehydratase' and Ligand = 'BDBM50441098'   

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
Delta-aminolevulinic acid dehydratase (Homo sapiens (Human))	BDBM50441098 (CHEMBL2430563) Show SMILES OC(=O)c1cc(cs1)-c1ccc(Br)cc1 Show InChI InChI=1S/C11H7BrO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of human ALADH after 20 mins				Bioorg Med Chem Lett 23: 5558-62 (2013) Article DOI: 10.1016/j.bmcl.2013.08.052 BindingDB Entry DOI: 10.7270/Q2FQ9Z2S
					More data for this Ligand-Target Pair