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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase C' and Ligand = 'BDBM50332105'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospholipase C


(Bacillus cereus)
BDBM50332105
PNG
(1-(hydroxy(2-(trimethylammonio)ethyl)amino)-1-oxod...)
Show SMILES CCCCCCCCCCC([NH3+])C(=O)N(O)CC[N+](C)(C)C
Show InChI InChI=1S/C17H38N3O2/c1-5-6-7-8-9-10-11-12-13-16(18)17(21)19(22)14-15-20(2,3)4/h16,22H,5-15,18H2,1-4H3/q+1/p+1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Institute of Advance Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of Bacillus cereus phosphatidylcholine preferred phospholipase C by Dixon plot analysis


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
Phospholipase C


(Bacillus cereus)
BDBM50332105
PNG
(1-(hydroxy(2-(trimethylammonio)ethyl)amino)-1-oxod...)
Show SMILES CCCCCCCCCCC([NH3+])C(=O)N(O)CC[N+](C)(C)C
Show InChI InChI=1S/C17H38N3O2/c1-5-6-7-8-9-10-11-12-13-16(18)17(21)19(22)14-15-20(2,3)4/h16,22H,5-15,18H2,1-4H3/q+1/p+1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.00E+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