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Compile Data Set for Download or QSAR

Found 24 hits of ic50 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)
BDBM50332106
PNG
(1-(hydroxy(2-(trimethylammonio)ethyl)amino)-1-oxoh...)
Show SMILES CCCCCCCCCCCCCCC([NH3+])C(=O)N(O)CC[N+](C)(C)C
Show InChI InChI=1S/C21H46N3O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21(25)23(26)18-19-24(2,3)4/h20,26H,5-19,22H2,1-4H3/q+1/p+1
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n/an/a 2.00E+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
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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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
Phospholipase C


(Bacillus cereus)
BDBM50332107
PNG
(1-(hydroxy(2-(trimethylammonio)ethyl)amino)-1-oxoi...)
Show SMILES CCCCCCCCCCCCCCCCCCC([NH3+])C(=O)N(O)CC[N+](C)(C)C
Show InChI InChI=1S/C25H54N3O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25(29)27(30)22-23-28(2,3)4/h24,30H,5-23,26H2,1-4H3/q+1/p+1
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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
Phospholipase C


(Bacillus cereus)
BDBM50332102
PNG
(1-(benzyloxy(2-(trimethylammonio)ethyl)amino)-1-ox...)
Show SMILES CCCCCCCCCCCCCCC([NH3+])C(=O)N(CC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C28H52N3O2/c1-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)28(32)30(23-24-31(2,3)4)33-25-26-20-17-16-18-21-26/h16-18,20-21,27H,5-15,19,22-25,29H2,1-4H3/q+1/p+1
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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
Phospholipase C


(Bacillus cereus)
BDBM50332097
PNG
(2-(N-(benzyloxy)-2-(tert-butyloxycarbonylamino)dod...)
Show SMILES CCCCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C29H51N3O4/c1-8-9-10-11-12-13-14-18-21-26(30-28(34)36-29(2,3)4)27(33)31(22-23-32(5,6)7)35-24-25-19-16-15-17-20-25/h15-17,19-20,26H,8-14,18,21-24H2,1-7H3/p+1
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n/an/a 5.00E+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
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)
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n/an/a 8.00E+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
Phospholipase C


(Bacillus cereus)
BDBM50332101
PNG
(1-(benzyloxy(2-(trimethylammonio)ethyl)amino)-1-ox...)
Show SMILES CCCCCCCCCCC([NH3+])C(=O)N(CC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C24H44N3O2/c1-5-6-7-8-9-10-11-15-18-23(25)24(28)26(19-20-27(2,3)4)29-21-22-16-13-12-14-17-22/h12-14,16-17,23H,5-11,15,18-21,25H2,1-4H3/q+1/p+1
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n/an/a 1.00E+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
Phospholipase C


(Bacillus cereus)
BDBM50332098
PNG
(2-(N-(benzyloxy)-2-(tert-butyloxycarbonylamino)hex...)
Show SMILES CCCCCCCCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C33H59N3O4/c1-8-9-10-11-12-13-14-15-16-17-18-22-25-30(34-32(38)40-33(2,3)4)31(37)35(26-27-36(5,6)7)39-28-29-23-20-19-21-24-29/h19-21,23-24,30H,8-18,22,25-28H2,1-7H3/p+1
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n/an/a 2.20E+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
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
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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
Phospholipase C


(Bacillus cereus)
BDBM50332111
PNG
(2-amino-N-(benzyloxy)-N-[3-(dimethylamino)propyl]d...)
Show SMILES CCCCCCCCCCC(N)C(=O)N(CCCN(C)C)OCc1ccccc1
Show InChI InChI=1S/C24H43N3O2/c1-4-5-6-7-8-9-10-14-18-23(25)24(28)27(20-15-19-26(2)3)29-21-22-16-12-11-13-17-22/h11-13,16-17,23H,4-10,14-15,18-21,25H2,1-3H3
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n/an/a 3.20E+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
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
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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
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
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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
Phospholipase C


(Bacillus cereus)
BDBM50332120
PNG
(2-(N-(benzyloxy)-2-(tert-butyloxycarbonylamino)oct...)
Show SMILES CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H43N3O4/c1-8-9-10-14-17-22(26-24(30)32-25(2,3)4)23(29)27(18-19-28(5,6)7)31-20-21-15-12-11-13-16-21/h11-13,15-16,22H,8-10,14,17-20H2,1-7H3/p+1
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n/an/a 5.60E+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
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)
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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
Phospholipase C


(Bacillus cereus)
BDBM50332114
PNG
(3-[N-(benzyloxy)-2-(tert-butoxycarbonylamino)octan...)
Show SMILES CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C26H45N3O4/c1-8-9-10-14-18-23(27-25(31)33-26(2,3)4)24(30)28(19-15-20-29(5,6)7)32-21-22-16-12-11-13-17-22/h11-13,16-17,23H,8-10,14-15,18-21H2,1-7H3/p+1
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n/an/a 7.80E+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
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
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n/an/a 9.70E+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
Phospholipase C


(Bacillus cereus)
BDBM50332113
PNG
(1-((3-(dimethylammonio)propyl)(hydroxy)amino)-1-ox...)
Show SMILES CCCCCCCCCCC(N)C(=O)N(O)CCCN(C)C
Show InChI InChI=1S/C17H37N3O2/c1-4-5-6-7-8-9-10-11-13-16(18)17(21)20(22)15-12-14-19(2)3/h16,22H,4-15,18H2,1-3H3
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n/an/a 1.00E+5n/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
Phospholipase C


(Bacillus cereus)
BDBM50332117
PNG
(1-(benzyloxy(3-(trimethylammonio)propyl)amino)-1-o...)
Show SMILES CCCCCCCCCCC([NH3+])C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H46N3O2/c1-5-6-7-8-9-10-11-15-19-24(26)25(29)27(20-16-21-28(2,3)4)30-22-23-17-13-12-14-18-23/h12-14,17-18,24H,5-11,15-16,19-22,26H2,1-4H3/q+1/p+1
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n/an/a 1.41E+5n/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
Phospholipase C


(Bacillus cereus)
BDBM50332116
PNG
(1-(benzyloxy(3-(trimethylammonio)propyl)amino)-1-o...)
Show SMILES CCCCCCC([NH3+])C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C21H38N3O2/c1-5-6-7-11-15-20(22)21(25)23(16-12-17-24(2,3)4)26-18-19-13-9-8-10-14-19/h8-10,13-14,20H,5-7,11-12,15-18,22H2,1-4H3/q+1/p+1
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n/an/a 2.10E+5n/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
Phospholipase C


(Bacillus cereus)
BDBM50332118
PNG
(1-(hydroxyl(3-(trimethylammonio)propyl)amino)-1-ox...)
Show SMILES CCCCCCC([NH3+])C(=O)N(O)CCC[N+](C)(C)C
Show InChI InChI=1S/C14H32N3O2/c1-5-6-7-8-10-13(15)14(18)16(19)11-9-12-17(2,3)4/h13,19H,5-12,15H2,1-4H3/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 5.00E+5n/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
Phospholipase C


(Bacillus cereus)
BDBM50332110
PNG
(2-amino-N-(benzyloxy)-N-[3-(dimethylamino)propyl]o...)
Show SMILES CCCCCCC(N)C(=O)N(CCCN(C)C)OCc1ccccc1
Show InChI InChI=1S/C20H35N3O2/c1-4-5-6-10-14-19(21)20(24)23(16-11-15-22(2)3)25-17-18-12-8-7-9-13-18/h7-9,12-13,19H,4-6,10-11,14-17,21H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.00E+5n/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
Phospholipase C


(Bacillus cereus)
BDBM50332112
PNG
(1-(benzyloxy(3-(trimetylammonio)propyl)amino)-1-ox...)
Show SMILES CCCCCCC(N)C(=O)N(O)CCCN(C)C
Show InChI InChI=1S/C13H29N3O2/c1-4-5-6-7-9-12(14)13(17)16(18)11-8-10-15(2)3/h12,18H,4-11,14H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.00E+5n/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
Phospholipase C


(Bacillus cereus)
BDBM50332104
PNG
(1-(hydroxyl(2-(trimethylammonio)ethyl)amino)-1-oxo...)
Show SMILES CCCCCCC([NH3+])C(=O)N(O)CC[N+](C)(C)C
Show InChI InChI=1S/C13H30N3O2/c1-5-6-7-8-9-12(14)13(17)15(18)10-11-16(2,3)4/h12,18H,5-11,14H2,1-4H3/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 5.00E+5n/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
Phospholipase C


(Bacillus cereus)
BDBM50332100
PNG
(1-(benzyloxy(2-(trimethylammonio)ethyl)amino)-1-ox...)
Show SMILES CCCCCCC([NH3+])C(=O)N(CC[N+](C)(C)C)OCc1ccccc1
Show InChI InChI=1S/C20H36N3O2/c1-5-6-7-11-14-19(21)20(24)22(15-16-23(2,3)4)25-17-18-12-9-8-10-13-18/h8-10,12-13,19H,5-7,11,14-17,21H2,1-4H3/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 5.00E+5n/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