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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Met repressor' and Ligand = 'BDBM50362017'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Met repressor


(Escherichia coli)		BDBM50362017
PNG
(CHEMBL1939725)
Show SMILES C[N+](C)(CCCC(=O)NCCOC1CCCCCc2c1nnn2CCNC(=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/C44H67N17O9/c1-60(2,20-28-35(64)37(66)43(69-28)57-24-53-33-39(45)49-22-51-41(33)57)17-8-12-30(62)47-14-16-59-26-10-6-5-7-11-27(32(26)55-56-59)68-19-15-48-31(63)13-9-18-61(3,4)21-29-36(65)38(67)44(70-29)58-25-54-34-40(46)50-23-52-42(34)58/h22-25,27-29,35-38,43-44,64-67H,5-21H2,1-4H3,(H4-2,45,46,47,48,49,50,51,52,62,63)/p+2/t27?,28-,29-,35-,36-,37-,38-,43-,44-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 50n/an/an/an/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