null

SMILES: CCC(C)n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12

InChI Key: InChIKey=HOIJNJMZFIVZDO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 188312   

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)	BDBM188312 (US9073941, 1009) Show SMILES CCC(C)n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H16BrN5O2/c1-3-11(2)26-18(25-20(27)15-8-9-16(21)28-15)12(10-22)17-19(26)24-14-7-5-4-6-13(14)23-17/h4-9,11H,3H2,1-2H3,(H,25,27)	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)	BDBM188312 (US9073941, 1009) Show SMILES CCC(C)n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H16BrN5O2/c1-3-11(2)26-18(25-20(27)15-8-9-16(21)28-15)12(10-22)17-19(26)24-14-7-5-4-6-13(14)23-17/h4-9,11H,3H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.65E+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