BDBM50528083 CHEMBL4567438

SMILES: CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1

InChI Key: InChIKey=POLZCYZUTQTPRN-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 = 50528083   

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
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528083 (CHEMBL4567438) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H19F2N3O5S/c1-24(15-7-10-17(11-8-15)28-35(33,34)18-5-3-2-4-6-18)22(31)29(23(32)27-24)14-21(30)19-12-9-16(25)13-20(19)26/h2-13,28H,14H2,1H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107
					More data for this Ligand-Target Pair