BDBM188309 US9073941, 1006

SMILES: CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc12

InChI Key: InChIKey=PZHBPVKRZHDXME-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 = 188309   

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
Pyruvate dehydrogenase (PDH) (Mycobacterium tuberculosis)	BDBM188309 (US9073941, 1006) Show SMILES CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H17N5OS/c1-2-3-10-25-18(24-20(26)16-9-6-11-27-16)13(12-21)17-19(25)23-15-8-5-4-7-14(15)22-17/h4-9,11H,2-3,10H2,1H3,(H,24,26)	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
Lipoamide Dehydrogenase (Lpd) (Mycobacterium tuberculosis)	BDBM188309 (US9073941, 1006) Show SMILES CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H17N5OS/c1-2-3-10-25-18(24-20(26)16-9-6-11-27-16)13(12-21)17-19(25)23-15-8-5-4-7-14(15)22-17/h4-9,11H,2-3,10H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	860	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