Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HTH-type transcriptional regulator EthR' and Ligand = 'BDBM50363042'   

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)	BDBM50363042 (CHEMBL1946417) Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)C1CCCC1 Show InChI InChI=1S/C16H22F3N3O2/c17-16(18,19)8-5-13(23)22-9-6-12(7-10-22)15-20-14(21-24-15)11-3-1-2-4-11/h11-12H,1-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...				J Med Chem 55: 68-83 (2012) Article DOI: 10.1021/jm200825u BindingDB Entry DOI: 10.7270/Q2RX9CJW
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