BDBM50147731 CHEMBL3765655

SMILES: CCOc1ccc(NC(=O)c2c(C)nc3sc4ccccc4n23)cc1

InChI Key: InChIKey=HAXCDDVHPDSDAX-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50147731   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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...)	BDBM50147731 (CHEMBL3765655) Show SMILES CCOc1ccc(NC(=O)c2c(C)nc3sc4ccccc4n23)cc1 Show InChI InChI=1S/C19H17N3O2S/c1-3-24-14-10-8-13(9-11-14)21-18(23)17-12(2)20-19-22(17)15-6-4-5-7-16(15)25-19/h4-11H,3H2,1-2H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+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) BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair