Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantothenate synthetase' and Ligand = 'BDBM50497771'   

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...)	BDBM50497771 (CHEMBL3310313) Show SMILES Cc1nc2ccccn2c1C(=O)NCCc1ccccc1 Show InChI InChI=1S/C17H17N3O/c1-13-16(20-12-6-5-9-15(20)19-13)17(21)18-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
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