BDBM50450923 CHEMBL510628

SMILES: [O-][N+](=O)c1ccc(\C=C(/C#N)c2nc3ccccc3s2)s1

InChI Key: InChIKey=CNCAYVJOGWWUPY-VQHVLOKHSA-N

Data: 1 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 1 hit for monomerid = 50450923   

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
Probable L-lysine-epsilon aminotransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50450923 (CHEMBL510628) Show SMILES [O-][N+](=O)c1ccc(\C=C(/C#N)c2nc3ccccc3s2)s1 Show InChI InChI=1S/C14H7N3O2S2/c15-8-9(7-10-5-6-13(20-10)17(18)19)14-16-11-3-1-2-4-12(11)21-14/h1-7H/b9-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis LAT using L-lysine as substrate by spectroscopic method				Bioorg Med Chem 25: 2761-2771 (2017) Article DOI: 10.1016/j.bmc.2017.03.053 BindingDB Entry DOI: 10.7270/Q2J67KGM
					More data for this Ligand-Target Pair