BDBM50147729 CHEMBL3765483

SMILES: Cc1nc2sc3ccccc3n2c1C(=O)Nc1ccc(Br)cc1

InChI Key: InChIKey=AWFWOTUNFYYICK-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 = 50147729   

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...)	BDBM50147729 (CHEMBL3765483) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C17H12BrN3OS/c1-10-15(16(22)20-12-8-6-11(18)7-9-12)21-13-4-2-3-5-14(13)23-17(21)19-10/h2-9H,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	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