Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Met repressor' and Ligand = 'BDBM50362006'   

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
Met repressor (Escherichia coli)	BDBM50362006 (CHEMBL1939714) Show SMILES C[N+](C)(CC[C@H](N)C(=O)NCc1ccccc1)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C23H32N8O4/c1-31(2,9-8-15(24)22(34)26-10-14-6-4-3-5-7-14)11-16-18(32)19(33)23(35-16)30-13-29-17-20(25)27-12-28-21(17)30/h3-7,12-13,15-16,18-19,23,32-33H,8-11,24H2,1-2H3,(H2-,25,26,27,28,34)/p+1/t15-,16+,18+,19+,23+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli metJ assessed as protein dimer-DNA complex formation using F-metC operator DNA by fluorescence anisotropy				Bioorg Med Chem Lett 22: 278-84 (2011) Article DOI: 10.1016/j.bmcl.2011.11.017 BindingDB Entry DOI: 10.7270/Q2HQ40BH
					More data for this Ligand-Target Pair