BDBM50528132 CHEMBL4439876

SMILES: C[C@@]1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=GMGAMGXAXJWAQR-GOSISDBHSA-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 = 50528132   

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...)	BDBM50528132 (CHEMBL4439876) Show SMILES C[C@@]1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C18H15F2N3O5S/c1-18(10-2-5-12(6-3-10)29(21,27)28)16(25)23(17(26)22-18)9-15(24)13-7-4-11(19)8-14(13)20/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	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