Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-aminolevulinic acid dehydratase' and Ligand = 'BDBM50017186'   

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 (Wolbachia sp. subsp. Brugia malayi (strain TRS))	BDBM50017186 (CHEMBL3287362) Show SMILES OC(=O)c1cccc2nc(CCNC(=O)c3cccs3)n(Cc3cccc(c3)C(F)(F)F)c12 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)15-5-1-4-14(12-15)13-29-19(9-10-27-21(30)18-8-3-11-33-18)28-17-7-2-6-16(20(17)29)22(31)32/h1-8,11-12H,9-10,13H2,(H,27,30)(H,31,32)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged Wolbachia PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase (Homo sapiens (Human))	BDBM50017186 (CHEMBL3287362) Show SMILES OC(=O)c1cccc2nc(CCNC(=O)c3cccs3)n(Cc3cccc(c3)C(F)(F)F)c12 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)15-5-1-4-14(12-15)13-29-19(9-10-27-21(30)18-8-3-11-33-18)28-17-7-2-6-16(20(17)29)22(31)32/h1-8,11-12H,9-10,13H2,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of human PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase (Drosophila melanogaster)	BDBM50017186 (CHEMBL3287362) Show SMILES OC(=O)c1cccc2nc(CCNC(=O)c3cccs3)n(Cc3cccc(c3)C(F)(F)F)c12 Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)15-5-1-4-14(12-15)13-29-19(9-10-27-21(30)18-8-3-11-33-18)28-17-7-2-6-16(20(17)29)22(31)32/h1-8,11-12H,9-10,13H2,(H,27,30)(H,31,32)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair