Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Met repressor' and Ligand = 'BDBM50362018'   

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)	BDBM50362018 (CHEMBL1939726) Show SMILES C[N+](C)(CCCC(=O)NCCCCn1nnc2C(CCCCCc12)OCCNC(=O)CCC[N+](C)(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C46H71N17O9/c1-62(2,22-30-37(66)39(68)45(71-30)59-26-55-35-41(47)51-24-53-43(35)59)19-10-14-32(64)49-16-8-9-18-61-28-12-6-5-7-13-29(34(28)57-58-61)70-21-17-50-33(65)15-11-20-63(3,4)23-31-38(67)40(69)46(72-31)60-27-56-36-42(48)52-25-54-44(36)60/h24-27,29-31,37-40,45-46,66-69H,5-23H2,1-4H3,(H4-2,47,48,49,50,51,52,53,54,64,65)/p+2/t29?,30-,31-,37-,38-,39-,40-,45-,46-/m1/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	42	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
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