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SMILES: CCCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12

InChI Key: InChIKey=ULXACOANXABOHE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 188310   

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
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188310 (US9073941, 1007) Show SMILES CCCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C21H18BrN5O2/c1-2-3-6-11-27-19(26-21(28)16-9-10-17(22)29-16)13(12-23)18-20(27)25-15-8-5-4-7-14(15)24-18/h4-5,7-10H,2-3,6,11H2,1H3,(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM188310 (US9073941, 1007) Show SMILES CCCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C21H18BrN5O2/c1-2-3-6-11-27-19(26-21(28)16-9-10-17(22)29-16)13(12-23)18-20(27)25-15-8-5-4-7-14(15)24-18/h4-5,7-10H,2-3,6,11H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.36E+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