BDBM50395181 CHEMBL2164306

SMILES: COc1cccc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)c1

InChI Key: InChIKey=SBNQIKRIZGIXKT-UHFFFAOYSA-N

Data: 1 EC50

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 = 50395181   

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
Transcriptional repressor EthR (EthR) (Mycobacterium tuberculosis)	BDBM50395181 (CHEMBL2164306) Show SMILES COc1cccc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)c1 Show InChI InChI=1S/C22H18N2O2S2/c1-26-17-5-4-6-18(13-17)27-14-21(25)23-16-11-9-15(10-12-16)22-24-19-7-2-3-8-20(19)28-22/h2-13H,14H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of EthR in Mycobacterium tuberculosis H37Rv-GFP infected in mouse Raw 264.7 cells assessed as compound concentration allowing 0.1 uM ethio...				J Med Chem 55: 6391-402 (2012) Article DOI: 10.1021/jm300377g BindingDB Entry DOI: 10.7270/Q2S183MF
					More data for this Ligand-Target Pair