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BDBM50362004 CHEMBL1939709

SMILES: CN(CC[C@H](N)C(=O)NCc1cccc(c1)-c1cccc(CNC(=O)[C@@H](N)CCN(C)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c1)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=NYVOEAIEBLJHAC-GOGOWKJJSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50362004   
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)		BDBM50362004
PNG
(CHEMBL1939709)
Show SMILES CN(CC[C@H](N)C(=O)NCc1cccc(c1)-c1cccc(CNC(=O)[C@@H](N)CCN(C)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c1)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)11-9-27(45)41(65)49-15-23-5-3-7-25(13-23)26-8-4-6-24(14-26)16-50-42(66)28(46)10-12-58(2)18-30-34(62)36(64)44(68-30)60-22-56-32-38(48)52-20-54-40(32)60/h3-8,13-14,19-22,27-30,33-36,43-44,61-64H,9-12,15-18,45-46H2,1-2H3,(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
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UniProtKB/TrEMBL

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UniChem

Similars
Article
PubMed
n/an/an/an/a 75n/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