Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   

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   (464/464 = 100%)† (Mycobacterium tuberculosis)	BDBM119878 (SL827 | US9073941, 500) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 Show InChI InChI=1S/C15H17BrN4O4S/c1-20(25(22,23)13-7-10(16)8-18-15(13)17)9-14(21)19-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H2,17,18)(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase   (464/464 = 100%)† (Mycobacterium tuberculosis)	BDBM119878 (SL827 | US9073941, 500) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 Show InChI InChI=1S/C15H17BrN4O4S/c1-20(25(22,23)13-7-10(16)8-18-15(13)17)9-14(21)19-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H2,17,18)(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	960	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				3D Structure (crystal)

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