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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Met repressor' and Ligand = 'BDBM50362003'   
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)		BDBM50362003
PNG
(CHEMBL1939710)
Show SMILES CN(CC[C@H](N)C(=O)NCc1ccccc1-c1ccccc1CNC(=O)[C@@H](N)CCN(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/C44H58N16O8/c1-57(17-29-33(61)35(63)43(67-29)59-21-55-31-37(47)51-19-53-39(31)59)13-11-27(45)41(65)49-15-23-7-3-5-9-25(23)26-10-6-4-8-24(26)16-50-42(66)28(46)12-14-58(2)18-30-34(62)36(64)44(68-30)60-22-56-32-38(48)52-20-54-40(32)60/h3-10,19-22,27-30,33-36,43-44,61-64H,11-18,45-46H2,1-2H3,(H,49,65)(H,50,66)(H2,47,51,53)(H2,48,52,54)/t27-,28-,29+,30+,33+,34+,35+,36+,43+,44+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 39n/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