BDBM50528104 CHEMBL4552639

SMILES: CC1(NC(=O)N(CC(=O)c2cccs2)C1=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=DHUYVRGGLCORSM-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 = 50528104   

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...)	BDBM50528104 (CHEMBL4552639) Show SMILES CC1(NC(=O)N(CC(=O)c2cccs2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O5S2/c1-16(10-4-6-11(7-5-10)26(17,23)24)14(21)19(15(22)18-16)9-12(20)13-3-2-8-25-13/h2-8H,9H2,1H3,(H,18,22)(H2,17,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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