BDBM50528140 CHEMBL4557069

SMILES: CC1(NC(=O)N(CC(=O)c2ccc(F)c(c2)C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=GRZOUCPYVZOEBU-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 = 50528140   

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...)	BDBM50528140 (CHEMBL4557069) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)c(c2)C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H15F4N3O5S/c1-18(11-3-5-12(6-4-11)32(24,30)31)16(28)26(17(29)25-18)9-15(27)10-2-7-14(20)13(8-10)19(21,22)23/h2-8H,9H2,1H3,(H,25,29)(H2,24,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	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