BDBM50147725 CHEMBL3765736

SMILES: Cc1nc2sccn2c1C(=O)Nc1ccccc1

InChI Key: InChIKey=QPPSWPVTTXDFCQ-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 = 50147725   

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...)	BDBM50147725 (CHEMBL3765736) Show SMILES Cc1nc2sccn2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C13H11N3OS/c1-9-11(16-7-8-18-13(16)14-9)12(17)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	740	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