BDBM50139062 CHEMBL3752173

SMILES: NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(Cc3ccccc3)CCc12

InChI Key: InChIKey=WUCTZQDTJCQEQP-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 = 50139062   

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...)	BDBM50139062 (CHEMBL3752173) Show SMILES NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(Cc3ccccc3)CCc12 Show InChI InChI=1S/C20H18N4O4S2/c21-18(25)17-13-8-9-23(10-12-4-2-1-3-5-12)11-15(13)30-20(17)22-19(26)14-6-7-16(29-14)24(27)28/h1-7H,8-11H2,(H2,21,25)(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				Bioorg Med Chem Lett 26: 836-40 (2016) BindingDB Entry DOI: 10.7270/Q2RB76FV
					More data for this Ligand-Target Pair