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BDBM50332108 CHEMBL1287860::Tert-butyl 1-(benzyloxy(3-(dimethylamino)propyl)amino)-1-oxooctan-2-ylcarbamate

SMILES: CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N(CCCN(C)C)OCc1ccccc1

InChI Key: InChIKey=KSNWNYMPRFXGCG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50332108   
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)
BDBM50332108
PNG
(CHEMBL1287860 | Tert-butyl 1-(benzyloxy(3-(dimethy...)
Show SMILES CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N(CCCN(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H43N3O4/c1-7-8-9-13-17-22(26-24(30)32-25(2,3)4)23(29)28(19-14-18-27(5)6)31-20-21-15-11-10-12-16-21/h10-12,15-16,22H,7-9,13-14,17-20H2,1-6H3,(H,26,30)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.70E+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