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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cytosolic phospholipase A2 gamma' AND taxid = 9606   
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
Cytosolic phospholipase A2 gamma


(Homo sapiens)
BDBM50097334
PNG
(CHEMBL385730 | N-[(2S,4R)-1-[2-(2,4-Difluoro-benzo...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(cc1)C(=O)NC[C@@H]1C[C@H](CN1C(=O)c1ccccc1C(=O)c1ccc(F)cc1F)S(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C48H37F2N3O5S2/c49-33-24-25-41(42(50)27-33)44(54)39-18-10-11-19-40(39)47(57)53-30-38(60(35-12-4-1-5-13-35,36-14-6-2-7-15-36)37-16-8-3-9-17-37)28-34(53)29-51-45(55)32-22-20-31(21-23-32)26-43-46(56)52-48(58)59-43/h1-27,34,38H,28-30H2,(H,51,55)(H,52,56,58)/t34-,38+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cytosolic phospholipase A2


Bioorg Med Chem Lett 11: 587-90 (2001)

More data for this
Ligand-Target Pair
Cytosolic phospholipase A2 gamma


(Homo sapiens)
BDBM50085992
PNG
(CHEMBL268905 | N-[(2S,4R)-1-(2-Benzoyl-benzoyl)-4-...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(cc1)C(=O)NC[C@@H]1C[C@H](CN1C(=O)c1ccccc1C(=O)c1ccccc1)OCc1ccccc1-c1ccccc1
Show InChI InChI=1S/C43H35N3O6S/c47-39(30-13-5-2-6-14-30)36-17-9-10-18-37(36)42(50)46-26-34(52-27-32-15-7-8-16-35(32)29-11-3-1-4-12-29)24-33(46)25-44-40(48)31-21-19-28(20-22-31)23-38-41(49)45-43(51)53-38/h1-23,33-34H,24-27H2,(H,44,48)(H,45,49,51)/t33-,34+/m0/s1
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n/an/a 165n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cytosolic phospholipase A2


Bioorg Med Chem Lett 11: 587-90 (2001)

More data for this
Ligand-Target Pair
Cytosolic phospholipase A2 gamma


(Homo sapiens)
BDBM50059523
PNG
((6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F
Show InChI InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 420n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cytosolic phospholipase A2


Bioorg Med Chem Lett 11: 587-90 (2001)

More data for this
Ligand-Target Pair
Cytosolic phospholipase A2 gamma


(Homo sapiens)
BDBM22319
PNG
((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cytosolic phospholipase A2


Bioorg Med Chem Lett 11: 587-90 (2001)

More data for this
Ligand-Target Pair
Cytosolic phospholipase A2 gamma


(Homo sapiens)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cytosolic phospholipase A2


Bioorg Med Chem Lett 11: 587-90 (2001)

More data for this
Ligand-Target Pair