Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HTH-type transcriptional regulator EthR' and Ligand = 'BDBM50343344'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50343344 (1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-o...) Show SMILES O=C(Cc1cccs1)N1CCC(CC1)c1nc(no1)-c1cccs1 Show InChI InChI=1S/C17H17N3O2S2/c21-15(11-13-3-1-9-23-13)20-7-5-12(6-8-20)17-18-16(19-22-17)14-4-2-10-24-14/h1-4,9-10,12H,5-8,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay				J Med Chem 54: 2994-3010 (2011) Article DOI: 10.1021/jm200076a BindingDB Entry DOI: 10.7270/Q2SJ1KXS
					More data for this Ligand-Target Pair				3D Structure (crystal)