BDBM50528116 CHEMBL4462626

SMILES: CC1(NC(=O)N(CC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=AQWKQPDLUVILLS-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 = 50528116   

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...)	BDBM50528116 (CHEMBL4462626) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16F3N3O5S/c1-18(12-6-8-14(9-7-12)31(23,29)30)16(27)25(17(28)24-18)10-15(26)11-2-4-13(5-3-11)19(20,21)22/h2-9H,10H2,1H3,(H,24,28)(H2,23,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	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