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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Phospholipase B' AND taxid = 283643   
Target
(Institution)
LigandTarget
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 B


(Cryptococcus neoformans)
BDBM50180984
PNG
(1,12-Bis(tripentyl ammonium)dodecane dibromide | C...)
Show SMILES CCCCC[N+](CCCCC)(CCCCC)CCCCCCCCCCCC[N+](CCCCC)(CCCCC)CCCCC
Show InChI InChI=1S/C42H90N2/c1-7-13-27-35-43(36-28-14-8-2,37-29-15-9-3)41-33-25-23-21-19-20-22-24-26-34-42-44(38-30-16-10-4,39-31-17-11-5)40-32-18-12-6/h7-42H2,1-6H3/q+2
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50180993
PNG
(1,12-Bis(tripropyl ammonium)dodecane dibromide | C...)
Show SMILES CCC[N+](CCC)(CCC)CCCCCCCCCCCC[N+](CCC)(CCC)CCC
Show InChI InChI=1S/C30H66N2/c1-7-23-31(24-8-2,25-9-3)29-21-19-17-15-13-14-16-18-20-22-30-32(26-10-4,27-11-5)28-12-6/h7-30H2,1-6H3/q+2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50180985
PNG
(1,12-Bis(trihexyl ammonium)dodecane dichloride | C...)
Show SMILES CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
Show InChI InChI=1S/C48H102N2/c1-7-13-19-33-41-49(42-34-20-14-8-2,43-35-21-15-9-3)47-39-31-29-27-25-26-28-30-32-40-48-50(44-36-22-16-10-4,45-37-23-17-11-5)46-38-24-18-12-6/h7-48H2,1-6H3/q+2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50180987
PNG
(1,12-Bis(triisopentyl ammonium)dodecane dichloride...)
Show SMILES CC(C)CC[N+](CCCCCCCCCCCC[N+](CCC(C)C)(CCC(C)C)CCC(C)C)(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C42H90N2/c1-37(2)23-31-43(32-24-38(3)4,33-25-39(5)6)29-21-19-17-15-13-14-16-18-20-22-30-44(34-26-40(7)8,35-27-41(9)10)36-28-42(11)12/h37-42H,13-36H2,1-12H3/q+2
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PC sid
UniChem

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Article
PubMed
n/an/a>7.50E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50180986
PNG
(1,12-Bis(tributyl ammonium)dodecane dichloride | C...)
Show SMILES CCCC[N+](CCCC)(CCCC)CCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC
Show InChI InChI=1S/C36H78N2/c1-7-13-29-37(30-14-8-2,31-15-9-3)35-27-25-23-21-19-20-22-24-26-28-36-38(32-16-10-4,33-17-11-5)34-18-12-6/h7-36H2,1-6H3/q+2
KEGG

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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50180992
PNG
(1,12-Bis(tributyl phosphonium)dodecane dibromide |...)
Show SMILES CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
Show InChI InChI=1S/C36H78P2/c1-7-13-29-37(30-14-8-2,31-15-9-3)35-27-25-23-21-19-20-22-24-26-28-36-38(32-16-10-4,33-17-11-5)34-18-12-6/h7-36H2,1-6H3/q+2
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50084929
PNG
(1,12-Bis(triethyl ammonium)dodecane dibromide | CH...)
Show SMILES CC[N+](CC)(CC)CCCCCCCCCCCC[N+](CC)(CC)CC
Show InChI InChI=1S/C24H54N2/c1-7-25(8-2,9-3)23-21-19-17-15-13-14-16-18-20-22-24-26(10-4,11-5)12-6/h7-24H2,1-6H3/q+2
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UniChem

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50084949
PNG
(1,12-Bis(N-methylpyrrolidinium)dodecane dibromide ...)
Show SMILES C[N+]1(CCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1
Show InChI InChI=1S/C22H46N2/c1-23(19-13-14-20-23)17-11-9-7-5-3-4-6-8-10-12-18-24(2)21-15-16-22-24/h3-22H2,1-2H3/q+2
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PC sid
UniChem

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50180991
PNG
(1,12-Bis(N-butylpyrrolidinium)dodecane dichloride ...)
Show SMILES CCCC[N+]1(CCCCCCCCCCCC[N+]2(CCCC)CCCC2)CCCC1
Show InChI InChI=1S/C28H58N2/c1-3-5-21-29(25-17-18-26-29)23-15-13-11-9-7-8-10-12-14-16-24-30(22-6-4-2)27-19-20-28-30/h3-28H2,1-2H3/q+2
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UniChem

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50180990
PNG
(1,12-Bis(N-methylmorpholinium)dodecane dibromide |...)
Show SMILES C[N+]1(CCCCCCCCCCCC[N+]2(C)CCOCC2)CCOCC1
Show InChI InChI=1S/C22H46N2O2/c1-23(15-19-25-20-16-23)13-11-9-7-5-3-4-6-8-10-12-14-24(2)17-21-26-22-18-24/h3-22H2,1-2H3/q+2
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UniChem

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50060533
PNG
(1,12-Bis(trimethyl ammonium)dodecane dibromide | 1...)
Show SMILES C[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C18H42N2/c1-19(2,3)17-15-13-11-9-7-8-10-12-14-16-18-20(4,5)6/h7-18H2,1-6H3/q+2
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PC sid
UniChem

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50180988
PNG
(1,12-Bis(N-quinuclidlinium)dodecane dibromide | CH...)
Show SMILES C(CCCCCC[N+]12CCC(CC1)CC2)CCCCC[N+]12CCC(CC1)CC2
Show InChI InChI=1S/C26H50N2/c1(3-5-7-9-17-27-19-11-25(12-20-27)13-21-27)2-4-6-8-10-18-28-22-14-26(15-23-28)16-24-28/h25-26H,1-24H2/q+2
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UniChem

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50060582
PNG
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)
Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
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PC sid
PDB
UniChem

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase B


(Cryptococcus neoformans)
BDBM50180989
PNG
(1,12-Bis(trioctyl ammonium)dodecane dichloride | C...)
Show SMILES CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
Show InChI InChI=1S/C60H126N2/c1-7-13-19-25-37-45-53-61(54-46-38-26-20-14-8-2,55-47-39-27-21-15-9-3)59-51-43-35-33-31-32-34-36-44-52-60-62(56-48-40-28-22-16-10-4,57-49-41-29-23-17-11-5)58-50-42-30-24-18-12-6/h7-60H2,1-6H3/q+2
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of Cryptococccus neoformans H99 PLB1activity


Citation and Details
More data for this
Ligand-Target Pair