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PubMed code 12616631

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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 A2


(Homo sapiens (Human))
BDBM82341
PNG
(hnpsPLA2-IIa Inhibitor, 2l)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(OCc2cccc3ccccc23)cc1)NC(=O)CCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C35H39NO4/c37-34(18-7-2-1-4-11-27-12-5-3-6-13-27)36-31(21-24-35(38)39)25-28-19-22-32(23-20-28)40-26-30-16-10-15-29-14-8-9-17-33(29)30/h3,5-6,8-10,12-17,19-20,22-23,31H,1-2,4,7,11,18,21,24-26H2,(H,36,37)(H,38,39)/t31-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82331
PNG
(hnpsPLA2-IIa Inhibitor, 2b)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82342
PNG
(hnpsPLA2-IIa Inhibitor, 2m)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C35H39NO4/c37-34(15-7-2-1-4-10-27-11-5-3-6-12-27)36-32(20-23-35(38)39)25-28-17-21-33(22-18-28)40-26-29-16-19-30-13-8-9-14-31(30)24-29/h3,5-6,8-9,11-14,16-19,21-22,24,32H,1-2,4,7,10,15,20,23,25-26H2,(H,36,37)(H,38,39)/t32-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82340
PNG
(hnpsPLA2-IIa Inhibitor, 2k)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(OCC2CCCC2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C30H41NO4/c32-29(15-7-2-1-4-10-24-11-5-3-6-12-24)31-27(18-21-30(33)34)22-25-16-19-28(20-17-25)35-23-26-13-8-9-14-26/h3,5-6,11-12,16-17,19-20,26-27H,1-2,4,7-10,13-15,18,21-23H2,(H,31,32)(H,33,34)/t27-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50055341
PNG
(CHEMBL149502 | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
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n/an/a 60n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82339
PNG
(hnpsPLA2-IIa Inhibitor, 2j)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(OCC2CCCCC2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C31H43NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3,6-7,12-13,17-18,20-21,27-28H,1-2,4-5,8-11,14-16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82345
PNG
(hnpsPLA2-IIa Inhibitor, 2p)
Show SMILES CCCCCCCOc1ccc(C[C@H](CCC(O)=O)NC(=O)CCCCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C31H45NO4/c1-2-3-4-7-13-24-36-29-21-18-27(19-22-29)25-28(20-23-31(34)35)32-30(33)17-12-6-5-9-14-26-15-10-8-11-16-26/h8,10-11,15-16,18-19,21-22,28H,2-7,9,12-14,17,20,23-25H2,1H3,(H,32,33)(H,34,35)/t28-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82343
PNG
(hnpsPLA2-IIa Inhibitor, 2n)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(OC\C=C\c2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C33H39NO4/c35-32(18-10-2-1-5-12-27-13-6-3-7-14-27)34-30(21-24-33(36)37)26-29-19-22-31(23-20-29)38-25-11-17-28-15-8-4-9-16-28/h3-4,6-9,11,13-17,19-20,22-23,30H,1-2,5,10,12,18,21,24-26H2,(H,34,35)(H,36,37)/b17-11+/t30-/m0/s1
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n/an/a 116n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82344
PNG
(hnpsPLA2-IIa Inhibitor, 2o)
Show SMILES CC(C)COc1ccc(C[C@H](CCC(O)=O)NC(=O)CCCCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H39NO4/c1-22(2)21-33-26-17-14-24(15-18-26)20-25(16-19-28(31)32)29-27(30)13-9-4-3-6-10-23-11-7-5-8-12-23/h5,7-8,11-12,14-15,17-18,22,25H,3-4,6,9-10,13,16,19-21H2,1-2H3,(H,29,30)(H,31,32)/t25-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82337
PNG
(hnpsPLA2-IIa Inhibitor, 2h)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(Oc2ccccn2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C29H34N2O4/c32-27(13-7-2-1-4-10-23-11-5-3-6-12-23)31-25(17-20-29(33)34)22-24-15-18-26(19-16-24)35-28-14-8-9-21-30-28/h3,5-6,8-9,11-12,14-16,18-19,21,25H,1-2,4,7,10,13,17,20,22H2,(H,31,32)(H,33,34)/t25-/m0/s1
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n/an/a 214n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82338
PNG
(hnpsPLA2-IIa Inhibitor, 2i)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(Oc2cccnc2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C29H34N2O4/c32-28(13-7-2-1-4-9-23-10-5-3-6-11-23)31-25(16-19-29(33)34)21-24-14-17-26(18-15-24)35-27-12-8-20-30-22-27/h3,5-6,8,10-12,14-15,17-18,20,22,25H,1-2,4,7,9,13,16,19,21H2,(H,31,32)(H,33,34)/t25-/m0/s1
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n/an/a 247n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82336
PNG
(hnpsPLA2-IIa Inhibitor, 2g)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc1cccc(c1)N(=O)=O |r|
Show InChI InChI=1S/C31H36N2O6/c34-30(14-7-2-1-4-9-24-12-8-13-28(22-24)33(37)38)32-27(17-20-31(35)36)21-25-15-18-29(19-16-25)39-23-26-10-5-3-6-11-26/h3,5-6,8,10-13,15-16,18-19,22,27H,1-2,4,7,9,14,17,20-21,23H2,(H,32,34)(H,35,36)/t27-/m0/s1
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n/an/a 536n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82330
PNG
(hnpsPLA2-IIa Inhibitor, 2a)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCc1ccccc1 |r|
Show InChI InChI=1S/C30H35NO4/c32-29(15-9-3-6-12-24-10-4-1-5-11-24)31-27(18-21-30(33)34)22-25-16-19-28(20-17-25)35-23-26-13-7-2-8-14-26/h1-2,4-5,7-8,10-11,13-14,16-17,19-20,27H,3,6,9,12,15,18,21-23H2,(H,31,32)(H,33,34)/t27-/m0/s1
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n/an/a 662n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82335
PNG
(hnpsPLA2-IIa Inhibitor, 2f)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc1cccnc1 |r|
Show InChI InChI=1S/C30H36N2O4/c33-29(13-7-2-1-4-9-25-12-8-20-31-22-25)32-27(16-19-30(34)35)21-24-14-17-28(18-15-24)36-23-26-10-5-3-6-11-26/h3,5-6,8,10-12,14-15,17-18,20,22,27H,1-2,4,7,9,13,16,19,21,23H2,(H,32,33)(H,34,35)/t27-/m0/s1
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n/an/a 761n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82333
PNG
(hnpsPLA2-IIa Inhibitor, 2d)
Show SMILES COc1ccccc1CCCCCCC(=O)N[C@@H](CCC(O)=O)Cc1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H39NO5/c1-37-30-15-10-9-14-27(30)13-7-2-3-8-16-31(34)33-28(19-22-32(35)36)23-25-17-20-29(21-18-25)38-24-26-11-5-4-6-12-26/h4-6,9-12,14-15,17-18,20-21,28H,2-3,7-8,13,16,19,22-24H2,1H3,(H,33,34)(H,35,36)/t28-/m0/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82332
PNG
(hnpsPLA2-IIa Inhibitor, 2c)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C32H39NO4/c34-31(17-11-3-1-2-6-12-26-13-7-4-8-14-26)33-29(20-23-32(35)36)24-27-18-21-30(22-19-27)37-25-28-15-9-5-10-16-28/h4-5,7-10,13-16,18-19,21-22,29H,1-3,6,11-12,17,20,23-25H2,(H,33,34)(H,35,36)/t29-/m0/s1
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n/an/a 2.48E+3n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82346
PNG
(hnpsPLA2-IIa Inhibitor, 2q)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(O)cc1)NC(=O)CCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C24H31NO4/c26-22-15-12-20(13-16-22)18-21(14-17-24(28)29)25-23(27)11-7-2-1-4-8-19-9-5-3-6-10-19/h3,5-6,9-10,12-13,15-16,21,26H,1-2,4,7-8,11,14,17-18H2,(H,25,27)(H,28,29)/t21-/m0/s1
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n/an/a 2.57E+3n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82334
PNG
(hnpsPLA2-IIa Inhibitor, 2e)
Show SMILES CC(=O)Nc1ccccc1CCCCCCC(=O)N[C@@H](CCC(O)=O)Cc1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C33H40N2O5/c1-25(36)34-31-15-10-9-14-28(31)13-7-2-3-8-16-32(37)35-29(19-22-33(38)39)23-26-17-20-30(21-18-26)40-24-27-11-5-4-6-12-27/h4-6,9-12,14-15,17-18,20-21,29H,2-3,7-8,13,16,19,22-24H2,1H3,(H,34,36)(H,35,37)(H,38,39)/t29-/m0/s1
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n/an/a 4.05E+3n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%