Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.4 BDBM50147692

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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...)	BDBM50147692 (CHEMBL3764695) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C19H16N4O2S/c1-11-7-9-13(10-8-11)17(24)21-22-18(25)16-12(2)20-19-23(16)14-5-3-4-6-15(14)26-19/h3-10H,1-2H3,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.83E+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 using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
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