Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '3-oxoacyl-[acyl-carrier-protein] synthase 3' and Ligand = 'BDBM50134346'   

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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50134346 (3,5-dimethyl-4-hydroxy-5-(3-methoxybenzyl)-5H-thio...) Show SMILES COc1cccc(CC2(C)SC(=O)C(C)C2=O)c1 Show InChI InChI=1S/C14H16O3S/c1-9-12(15)14(2,18-13(9)16)8-10-5-4-6-11(7-10)17-3/h4-7,9H,8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.				Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50134346 (3,5-dimethyl-4-hydroxy-5-(3-methoxybenzyl)-5H-thio...) Show SMILES COc1cccc(CC2(C)SC(=O)C(C)C2=O)c1 Show InChI InChI=1S/C14H16O3S/c1-9-12(15)14(2,18-13(9)16)8-10-5-4-6-11(7-10)17-3/h4-7,9H,8H2,1-3H3	PDB UniProtKB/SwissProt 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
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50134346 (3,5-dimethyl-4-hydroxy-5-(3-methoxybenzyl)-5H-thio...) Show SMILES COc1cccc(CC2(C)SC(=O)C(C)C2=O)c1 Show InChI InChI=1S/C14H16O3S/c1-9-12(15)14(2,18-13(9)16)8-10-5-4-6-11(7-10)17-3/h4-7,9H,8H2,1-3H3	PDB UniProtKB/SwissProt 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
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50134346 (3,5-dimethyl-4-hydroxy-5-(3-methoxybenzyl)-5H-thio...) Show SMILES COc1cccc(CC2(C)SC(=O)C(C)C2=O)c1 Show InChI InChI=1S/C14H16O3S/c1-9-12(15)14(2,18-13(9)16)8-10-5-4-6-11(7-10)17-3/h4-7,9H,8H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank 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
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair