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BDBM50362015 CHEMBL1939723

SMILES: CN(CCCC(=O)NCCCCCCNC(=O)CCCN(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

InChI Key: InChIKey=MFEJXSLVZJXWLU-VCJUVLFBSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50362015   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Met repressor


(Escherichia coli)		BDBM50362015
PNG
(CHEMBL1939723)
Show SMILES CN(CCCC(=O)NCCCCCCNC(=O)CCCN(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/C36H56N14O8/c1-47(15-21-27(53)29(55)35(57-21)49-19-45-25-31(37)41-17-43-33(25)49)13-7-9-23(51)39-11-5-3-4-6-12-40-24(52)10-8-14-48(2)16-22-28(54)30(56)36(58-22)50-20-46-26-32(38)42-18-44-34(26)50/h17-22,27-30,35-36,53-56H,3-16H2,1-2H3,(H,39,51)(H,40,52)(H2,37,41,43)(H2,38,42,44)/t21-,22-,27-,28-,29-,30-,35-,36-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 47n/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