BDBM188306 US9073941, 1001

SMILES: CCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12

InChI Key: InChIKey=ZFJLOMZKRKMZEK-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 188306   

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)	BDBM188306 (US9073941, 1001) Show SMILES CCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H16BrN5O2/c1-2-3-10-26-18(25-20(27)15-8-9-16(21)28-15)12(11-22)17-19(26)24-14-7-5-4-6-13(14)23-17/h4-9H,2-3,10H2,1H3,(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	954	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)	BDBM188306 (US9073941, 1001) Show SMILES CCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H16BrN5O2/c1-2-3-10-26-18(25-20(27)15-8-9-16(21)28-15)12(11-22)17-19(26)24-14-7-5-4-6-13(14)23-17/h4-9H,2-3,10H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.08E+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