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BDBM50332103 1-(benzyloxy(2-(trimethylammonio)ethyl)amino)-1-oxoicosan-2-aminium dichloride::CHEMBL1288274

SMILES: CCCCCCCCCCCCCCCCCCC([NH3+])C(=O)N(CC[N+](C)(C)C)OCc1ccccc1

InChI Key: InChIKey=HCWOHFLLZXLXPG-UHFFFAOYSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50332103   
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
Phospholipase C


(Bacillus cereus)		BDBM50332103
PNG
(1-(benzyloxy(2-(trimethylammonio)ethyl)amino)-1-ox...)
Show SMILES CCCCCCCCCCCCCCCCCCC([NH3+])C(=O)N(CC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C32H60N3O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-31(33)32(36)34(27-28-35(2,3)4)37-29-30-24-21-20-22-25-30/h20-22,24-25,31H,5-19,23,26-29,33H2,1-4H3/q+1/p+1
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PC cid
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Similars
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Institute of Advance Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of Bacillus cereus phosphatidylcholine preferred phospholipase C after 100 seconds

Bioorg Med Chem 18: 8549-55 (2010)


Article DOI: 10.1016/j.bmc.2010.10.031
BindingDB Entry DOI: 10.7270/Q2VH5P32
More data for this
Ligand-Target Pair