Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.3 BDBM188256Purchase

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)	BDBM188256 (US9073941, 538) Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Br)cc1F Show InChI InChI=1S/C18H22BrFN4O3S/c1-12(2)23-10-17(21-11-23)28(26,27)24-7-5-13(6-8-24)18(25)22-16-4-3-14(19)9-15(16)20/h3-4,9-13H,5-8H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.54E+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
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