BindingDB logo
myBDB logout

BDBM50332099 2-(N-(benzyloxy)-2-(tert-butyloxycarbonylamino)icosanamido-N,N,N-trimethylethan-1-aminium iodide::CHEMBL1288994

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

InChI Key: InChIKey=YVTCUKFHMGXLPF-UHFFFAOYSA-O

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50332099   
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)		BDBM50332099
PNG
(2-(N-(benzyloxy)-2-(tert-butyloxycarbonylamino)ico...)
Show SMILES CCCCCCCCCCCCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C37H67N3O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-34(38-36(42)44-37(2,3)4)35(41)39(30-31-40(5,6)7)43-32-33-27-24-23-25-28-33/h23-25,27-28,34H,8-22,26,29-32H2,1-7H3/p+1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.30E+4n/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