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BDBM50362020 CHEMBL1939728

SMILES: C[N+](C)(CCCC(=O)NCCCCCCNC(=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

InChI Key: InChIKey=UVDRFBWDYZSGMY-URWUGEGDSA-P

Data: 1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50362020   
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)		BDBM50362020
PNG
(CHEMBL1939728)
Show SMILES C[N+](C)(CCCC(=O)NCCCCCCNC(=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/C38H60N14O8/c1-51(2,17-23-29(55)31(57)37(59-23)49-21-47-27-33(39)43-19-45-35(27)49)15-9-11-25(53)41-13-7-5-6-8-14-42-26(54)12-10-16-52(3,4)18-24-30(56)32(58)38(60-24)50-22-48-28-34(40)44-20-46-36(28)50/h19-24,29-32,37-38,55-58H,5-18H2,1-4H3,(H4-2,39,40,41,42,43,44,45,46,53,54)/p+2/t23-,24-,29-,30-,31-,32-,37-,38-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 51n/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