Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 434.5 BDBM188272Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM188272 (US9073941, 554) Show SMILES CCOc1ccccc1CNC(=O)C1CCN(CC1)S(=O)(=O)c1cn(cn1)C(C)C Show InChI InChI=1S/C21H30N4O4S/c1-4-29-19-8-6-5-7-18(19)13-22-21(26)17-9-11-25(12-10-17)30(27,28)20-14-24(15-23-20)16(2)3/h5-8,14-17H,4,9-13H2,1-3H3,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.42E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair