Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HTH-type transcriptional regulator EthR' and Ligand = 'BDBM50363036'   

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)	BDBM50363036 (CHEMBL1945969) Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F6N3O2/c19-17(20,21)8-5-14(28)27-9-6-11(7-10-27)16-25-15(26-29-16)12-3-1-2-4-13(12)18(22,23)24/h1-4,11H,5-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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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