Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantothenate synthetase' and Ligand = 'BDBM50373141'   

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
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373141 (CHEMBL261487) Show SMILES COC(=O)c1ccc(Cn2cc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)cn2)cc1 |w:21.25| Show InChI InChI=1S/C24H28N4O4/c1-24(2,3)17-9-10-20-19(11-17)21(27-32-20)22(29)26-18-12-25-28(14-18)13-15-5-7-16(8-6-15)23(30)31-4/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
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