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Compile Data Set for Download or QSAR

Found 4 hits of ki for UniProtKB: P09598   
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)
BDBM50332115
PNG
(3-(N-(benzyloxy)-2-(tert-butyloxycarbonylamino)dod...)
Show SMILES CCCCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C30H53N3O4/c1-8-9-10-11-12-13-14-18-22-27(31-29(35)37-30(2,3)4)28(34)32(23-19-24-33(5,6)7)36-25-26-20-16-15-17-21-26/h15-17,20-21,27H,8-14,18-19,22-25H2,1-7H3/p+1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Institute of Advance Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Mixed-type 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)
BDBM50332109
PNG
(CHEMBL1287861 | Tert-butyl 1-(benzyloxy[3-(dimethy...)
Show SMILES CCCCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)N(CCCN(C)C)OCc1ccccc1
Show InChI InChI=1S/C29H51N3O4/c1-7-8-9-10-11-12-13-17-21-26(30-28(34)36-29(2,3)4)27(33)32(23-18-22-31(5)6)35-24-25-19-15-14-16-20-25/h14-16,19-20,26H,7-13,17-18,21-24H2,1-6H3,(H,30,34)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Institute of Advance Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Non-competitive 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
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)
BDBM50332119
PNG
(1-(hydroxy[3-(trimethylammonio)propyl]amino)-1-oxo...)
Show SMILES CCCCCCCCCCC([NH3+])C(=O)N(O)CCC[N+](C)(C)C
Show InChI InChI=1S/C18H40N3O2/c1-5-6-7-8-9-10-11-12-14-17(19)18(22)20(23)15-13-16-21(2,3)4/h17,23H,5-16,19H2,1-4H3/q+1/p+1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.60E+4n/an/an/an/an/an/an/an/a



Institute of Advance Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Mixed-type 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