Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-aminolevulinic acid dehydratase' and Ligand = 'BDBM50017182'   

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 (Drosophila melanogaster)	BDBM50017182 (CHEMBL3287358) Show SMILES OC(=O)c1ccc2[nH]c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C15H13N3O3S/c19-14(12-2-1-7-22-12)16-6-5-13-17-10-4-3-9(15(20)21)8-11(10)18-13/h1-4,7-8H,5-6H2,(H,16,19)(H,17,18)(H,20,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.48E+5	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
Delta-aminolevulinic acid dehydratase (Homo sapiens (Human))	BDBM50017182 (CHEMBL3287358) Show SMILES OC(=O)c1ccc2[nH]c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C15H13N3O3S/c19-14(12-2-1-7-22-12)16-6-5-13-17-10-4-3-9(15(20)21)8-11(10)18-13/h1-4,7-8H,5-6H2,(H,16,19)(H,17,18)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 (Wolbachia sp. subsp. Brugia malayi (strain TRS))	BDBM50017182 (CHEMBL3287358) Show SMILES OC(=O)c1ccc2[nH]c(CCNC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C15H13N3O3S/c19-14(12-2-1-7-22-12)16-6-5-13-17-10-4-3-9(15(20)21)8-11(10)18-13/h1-4,7-8H,5-6H2,(H,16,19)(H,17,18)(H,20,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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