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Compile Data Set for Download or QSAR

Found 240 hits Enz. Inhib. hit(s) with Target = 'Group III secretory phopholipase A2' 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
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114587
PNG
(MLS002702490 | N,N-dimethyl-4-[(1-methyl-6-nitro-2...)
Show SMILES CN(C)c1ccc(C=c2c3cc(ccc3n3[n+](C)c(cc23)-c2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C26H23N4O2/c1-27(2)20-11-9-18(10-12-20)15-22-23-16-21(30(31)32)13-14-24(23)29-26(22)17-25(28(29)3)19-7-5-4-6-8-19/h4-17H,1-3H3/q+1
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PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114484
PNG
(1-(2-furanylmethyl)-3-[[[2-hydroxy-3,5-di(propan-2...)
Show SMILES CC(C)c1cc(C(C)C)c(O)c(c1)C(=O)NNC(=S)NCc1ccco1
Show InChI InChI=1S/C19H25N3O3S/c1-11(2)13-8-15(12(3)4)17(23)16(9-13)18(24)21-22-19(26)20-10-14-6-5-7-25-14/h5-9,11-12,23H,10H2,1-4H3,(H,21,24)(H2,20,22,26)
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More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114498
PNG
(MLS000696619 | N'-(4,6-dimethyl-1,3-benzothiazol-2...)
Show SMILES Cc1cc(C)c2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCC3)sc2c1
Show InChI InChI=1S/C21H24N4O3S2/c1-14-12-15(2)19-18(13-14)29-21(22-19)24-23-20(26)16-6-8-17(9-7-16)30(27,28)25-10-4-3-5-11-25/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)(H,23,26)
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM81261
PNG
(3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-4-pyr...)
Show SMILES COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
Show InChI InChI=1S/C27H26N3O/c1-28(2)21-15-14-20(27(17-21)31-4)16-23-22-12-8-9-13-24(22)30-26(23)18-25(29(30)3)19-10-6-5-7-11-19/h5-18H,1-4H3/q+1
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM52701
PNG
(4-[(5-methyl-1H-1,2,4-triazol-3-yl)hydrazinylidene...)
Show SMILES Cc1nnc(N=Nc2ccc(O)cc2)[nH]1
Show InChI InChI=1S/C9H9N5O/c1-6-10-9(13-11-6)14-12-7-2-4-8(15)5-3-7/h2-5,15H,1H3,(H,10,11,13)
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM55049
PNG
(MLS001212293 | N-[N'-(2-Butoxy-benzoyl)-hydraz...)
Show SMILES CCCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C19H20N4O5S/c1-2-3-12-28-16-11-7-5-9-14(16)18(25)21-22-19(29)20-17(24)13-8-4-6-10-15(13)23(26)27/h4-11H,2-3,12H2,1H3,(H,21,25)(H2,20,22,24,29)
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM41952
PNG
(MLS000696579 | N'-(4-methyl-1,3-benzothiazol-2-yl)...)
Show SMILES CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cccc2s1
Show InChI InChI=1S/C21H24N4O3S2/c1-14-5-4-12-25(13-14)30(27,28)17-10-8-16(9-11-17)20(26)23-24-21-22-19-15(2)6-3-7-18(19)29-21/h3,6-11,14H,4-5,12-13H2,1-2H3,(H,22,24)(H,23,26)
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM50339
PNG
(MLS000704246 | N-[[(4-chlorobenzoyl)amino]carbamot...)
Show SMILES Cc1cccc(c1)C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClN3O2S/c1-10-3-2-4-12(9-10)14(21)18-16(23)20-19-15(22)11-5-7-13(17)8-6-11/h2-9H,1H3,(H,19,22)(H2,18,20,21,23)
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM90894
PNG
(2-chloranyl-N-[[(3-nitrophenyl)carbonylamino]carba...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NNC(=S)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H11ClN4O4S/c16-12-7-2-1-6-11(12)14(22)17-15(25)19-18-13(21)9-4-3-5-10(8-9)20(23)24/h1-8H,(H,18,21)(H2,17,19,22,25)
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More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114493
PNG
(4-Methoxy-N-[N'-(5-methyl-3-phenyl-isoxazole-4...)
Show SMILES COc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1c(C)onc1-c1ccccc1
Show InChI InChI=1S/C20H18N4O4S/c1-12-16(17(24-28-12)13-6-4-3-5-7-13)19(26)22-23-20(29)21-18(25)14-8-10-15(27-2)11-9-14/h3-11H,1-2H3,(H,22,26)(H2,21,23,25,29)
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114581
PNG
(4-[(E)-2-(1-ethyl-4-quinolin-1-iumyl)ethenyl]-N,N-...)
Show SMILES CC[n+]1ccc(\C=C\c2ccc(cc2)N(C)C)c2ccccc12
Show InChI InChI=1S/C21H23N2/c1-4-23-16-15-18(20-7-5-6-8-21(20)23)12-9-17-10-13-19(14-11-17)22(2)3/h5-16H,4H2,1-3H3/q+1
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More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114499
PNG
(4-[4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]c...)
Show SMILES CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cc(C)cc2s1
Show InChI InChI=1S/C23H27N5O5S2/c1-4-33-23(30)27-9-11-28(12-10-27)35(31,32)18-7-5-17(6-8-18)21(29)25-26-22-24-20-16(3)13-15(2)14-19(20)34-22/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,26)(H,25,29)
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM50347
PNG
(MLS000389664 | SMR000255938 | cid_4569803)
Show SMILES CCN(CC)c1nc2nc(C)[nH]c3nc4N(C(=O)Cc4c(c1C#N)c23)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN7O/c1-4-30(5-2)22-16(11-25)18-15-10-17(32)31(14-8-6-13(24)7-9-14)23(15)29-21-19(18)20(28-22)26-12(3)27-21/h6-9H,4-5,10H2,1-3H3,(H,26,27,28,29)
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More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114500
PNG
(4-[4-[[(4-methyl-1,3-benzothiazol-2-yl)amino]carba...)
Show SMILES CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cccc2s1
Show InChI InChI=1S/C22H25N5O5S2/c1-3-32-22(29)26-11-13-27(14-12-26)34(30,31)17-9-7-16(8-10-17)20(28)24-25-21-23-19-15(2)5-4-6-18(19)33-21/h4-10H,3,11-14H2,1-2H3,(H,23,25)(H,24,28)
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114503
PNG
(MLS000724624 | N'-(5,7-dimethyl-1,3-benzothiazol-2...)
Show SMILES Cc1cc(C)c2sc(NNC(=O)C3COc4ccccc4O3)nc2c1
Show InChI InChI=1S/C18H17N3O3S/c1-10-7-11(2)16-12(8-10)19-18(25-16)21-20-17(22)15-9-23-13-5-3-4-6-14(13)24-15/h3-8,15H,9H2,1-2H3,(H,19,21)(H,20,22)
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM94677
PNG
(MLS001018570 | N,N-dimethyl-4-[(E)-2-(1-methyl-4-q...)
Show SMILES CN(C)c1ccc(\C=C\c2cc[n+](C)c3ccccc23)cc1
Show InChI InChI=1S/C20H21N2/c1-21(2)18-12-9-16(10-13-18)8-11-17-14-15-22(3)20-7-5-4-6-19(17)20/h4-15H,1-3H3/q+1
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM94677
PNG
(MLS001018570 | N,N-dimethyl-4-[(E)-2-(1-methyl-4-q...)
Show SMILES CN(C)c1ccc(\C=C\c2cc[n+](C)c3ccccc23)cc1
Show InChI InChI=1S/C20H21N2/c1-21(2)18-12-9-16(10-13-18)8-11-17-14-15-22(3)20-7-5-4-6-19(17)20/h4-15H,1-3H3/q+1
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM54887
PNG
(9-carbazolyl-(4-methylphenyl)methanone | BRD-K7126...)
Show SMILES Cc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C20H15NO/c1-14-10-12-15(13-11-14)20(22)21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-13H,1H3
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114552
PNG
(1-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(4-...)
Show SMILES CC(=NNC(=S)Nc1ccc(C)cc1)c1cc2ccccc2o1
Show InChI InChI=1S/C18H17N3OS/c1-12-7-9-15(10-8-12)19-18(23)21-20-13(2)17-11-14-5-3-4-6-16(14)22-17/h3-11H,1-2H3,(H2,19,21,23)
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Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114590
PNG
(1-[[5-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]iso...)
Show SMILES NC(=S)NN=Cc1nccc2c(cccc12)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C14H9F7N4S/c15-12(16,13(17,18)14(19,20)21)9-3-1-2-8-7(9)4-5-23-10(8)6-24-25-11(22)26/h1-6H,(H3,22,25,26)
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More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM50305818
PNG
(1-(biphenyl-4-ylmethyl)-5-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM53041
PNG
(MLS001181166 | N''''-[(E)-(3-chloranyl-5-nitro-6-o...)
Show SMILES OC(C(=O)N\[NH+]=C\[c-]1cc(Cl)cc([N+]([O-])=O)c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H15ClN3O5/c22-17-11-14(19(26)18(12-17)25(29)30)13-23-24-20(27)21(28,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,28H,(H,24,27)/q-1/p+1/b23-13+
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n/an/a 3.25E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM47275
PNG
(4-[(E)-2-(1-ethyl-2-quinolin-1-iumyl)ethenyl]-N,N-...)
Show SMILES CC[n+]1c(\C=C\c2ccc(cc2)N(C)C)ccc2ccccc12
Show InChI InChI=1S/C21H23N2/c1-4-23-20(16-12-18-7-5-6-8-21(18)23)15-11-17-9-13-19(14-10-17)22(2)3/h5-16H,4H2,1-3H3/q+1
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n/an/a 3.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114468
PNG
((E)-N-[(2-furoylamino)thiocarbamoyl]-3-(4-methoxyp...)
Show SMILES COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2ccco2)cc1
Show InChI InChI=1S/C16H15N3O4S/c1-22-12-7-4-11(5-8-12)6-9-14(20)17-16(24)19-18-15(21)13-3-2-10-23-13/h2-10H,1H3,(H,18,21)(H2,17,19,20,24)/b9-6+
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n/an/a 3.49E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM65999
PNG
(MLS000702907 | N-({2-[2-(4-chlorophenoxy)propanoyl...)
Show SMILES CC(Oc1ccc(Cl)cc1)C(=O)NNC(=S)NC(=O)c1ccco1
Show InChI InChI=1S/C15H14ClN3O4S/c1-9(23-11-6-4-10(16)5-7-11)13(20)18-19-15(24)17-14(21)12-3-2-8-22-12/h2-9H,1H3,(H,18,20)(H2,17,19,21,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114203
PNG
(4-[4-(dimethylamino)benzylidene]-1-methyl-pyrazol[...)
Show SMILES CCOC(=O)c1cc2n([n+]1C)c1ccccc1c2=Cc1ccc(cc1)N(C)C
Show InChI InChI=1S/C23H24N3O2/c1-5-28-23(27)22-15-21-19(14-16-10-12-17(13-11-16)24(2)3)18-8-6-7-9-20(18)26(21)25(22)4/h6-15H,5H2,1-4H3/q+1
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n/an/a 3.61E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114467
PNG
((E)-3-(2-thienyl)-N-[[[2-(2-thienyl)acetyl]amino]t...)
Show SMILES O=C(Cc1cccs1)NNC(=S)NC(=O)\C=C\c1cccs1
Show InChI InChI=1S/C14H13N3O2S3/c18-12(6-5-10-3-1-7-21-10)15-14(20)17-16-13(19)9-11-4-2-8-22-11/h1-8H,9H2,(H,16,19)(H2,15,17,18,20)/b6-5+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM50373
PNG
(2-N,6-N-bis[4-(dimethylamino)phenyl]pyridine-2,6-d...)
Show SMILES CN(C)c1ccc(NC(=O)c2cccc(n2)C(=O)Nc2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C23H25N5O2/c1-27(2)18-12-8-16(9-13-18)24-22(29)20-6-5-7-21(26-20)23(30)25-17-10-14-19(15-11-17)28(3)4/h5-15H,1-4H3,(H,24,29)(H,25,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM81198
PNG
(Ethyl Violet | MLS001359914 | SMR001224407 | [4-[b...)
Show SMILES CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC
Show InChI InChI=1S/C31H42N3/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24H,7-12H2,1-6H3/q+1
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n/an/a 4.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114598
PNG
(1-[2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazol...)
Show SMILES COc1ccc(cc1)-n1c(SCC(=O)NNC(=S)Nc2ccccc2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H21N5O3S2/c1-32-18-13-11-17(12-14-18)29-22(31)19-9-5-6-10-20(19)26-24(29)34-15-21(30)27-28-23(33)25-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,27,30)(H2,25,28,33)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM65315
PNG
(MLS000417444 | N-[[(3-hydroxy-2-naphthoyl)amino]th...)
Show SMILES Oc1cc2ccccc2cc1C(=O)NNC(=S)NC(=O)c1ccco1
Show InChI InChI=1S/C17H13N3O4S/c21-13-9-11-5-2-1-4-10(11)8-12(13)15(22)19-20-17(25)18-16(23)14-6-3-7-24-14/h1-9,21H,(H,19,22)(H2,18,20,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM80030
PNG
(2-allyl-3-[[(E)-(3-bromo-6-keto-5-nitro-cyclohexa-...)
Show SMILES NC(SCC=C)=N[NH+]=C[c-]1cc(Br)cc([N+]([O-])=O)c1=O
Show InChI InChI=1S/C11H10BrN4O3S/c1-2-3-20-11(13)15-14-6-7-4-8(12)5-9(10(7)17)16(18)19/h2,4-6H,1,3H2,(H2,13,15)/q-1/p+1
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n/an/a 4.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114494
PNG
(1-[2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triaz...)
Show SMILES Cc1ccc(NC(=S)NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1
Show InChI InChI=1S/C24H27ClN6OS2/c1-16-7-13-19(14-8-16)26-23(33)29-27-21(32)15-34-24-30-28-22(17-9-11-18(25)12-10-17)31(24)20-5-3-2-4-6-20/h7-14,20H,2-6,15H2,1H3,(H,27,32)(H2,26,29,33)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM81258
PNG
(4-[(6-methoxy-1-methyl-2-phenyl-4-pyrazolo[1,5-a]i...)
Show SMILES COc1ccc2c(c1)c(=Cc1ccc(cc1)N(C)C)c1cc(-c3ccccc3)[n+](C)n21
Show InChI InChI=1S/C27H26N3O/c1-28(2)21-12-10-19(11-13-21)16-23-24-17-22(31-4)14-15-25(24)30-27(23)18-26(29(30)3)20-8-6-5-7-9-20/h5-18H,1-4H3/q+1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM53830
PNG
(2-(benzenesulfonamido)-1-butyl-3-pyrrolo[3,2-b]qui...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H24N4O4S/c1-3-5-15-27-21(26-32(29,30)16-11-7-6-8-12-16)19(23(28)31-4-2)20-22(27)25-18-14-10-9-13-17(18)24-20/h6-14,26H,3-5,15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM34807
PNG
((4E)-2,3-bis(oxidanyl)-4-[[(2-propan-2-ylimino-4-t...)
Show SMILES CC(C)N=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H17N3O3S2/c1-10(2)19-17-20(12(9-25-17)14-4-3-7-24-14)18-8-11-5-6-13(21)16(23)15(11)22/h3-10,21-23H,1-2H3
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n/an/a 4.13E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM64708
PNG
(2-[(1E,3E)-4-(4-Dimethylamino-phenyl)-buta-1,3-die...)
Show SMILES CN(C)c1ccc(\C=C\C=C\c2sc3ccccc3[n+]2C)cc1
Show InChI InChI=1S/C20H21N2S/c1-21(2)17-14-12-16(13-15-17)8-4-7-11-20-22(3)18-9-5-6-10-19(18)23-20/h4-15H,1-3H3/q+1
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n/an/a 4.16E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM53920
PNG
(3-nitro-N-[3-(4-sulfamoylanilino)-2-quinoxalinyl]b...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H16N6O6S2/c21-33(29,30)15-10-8-13(9-11-15)22-19-20(24-18-7-2-1-6-17(18)23-19)25-34(31,32)16-5-3-4-14(12-16)26(27)28/h1-12H,(H,22,23)(H,24,25)(H2,21,29,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114477
PNG
(3-Methoxy-benzoic acid 4,4,6-trimethyl-1,2-dioxo-1...)
Show SMILES COc1cccc(c1)C(=O)Oc1cc2C(=O)C(=O)N3c2c(c1)C(C)=CC3(C)C
Show InChI InChI=1S/C22H19NO5/c1-12-11-22(2,3)23-18-16(12)9-15(10-17(18)19(24)20(23)25)28-21(26)13-6-5-7-14(8-13)27-4/h5-11H,1-4H3
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n/an/a 4.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM66063
PNG
(Furan-2-carboxylic acid [N'-(4-propoxy-benzoyl...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccco1
Show InChI InChI=1S/C16H17N3O4S/c1-2-9-22-12-7-5-11(6-8-12)14(20)18-19-16(24)17-15(21)13-4-3-10-23-13/h3-8,10H,2,9H2,1H3,(H,18,20)(H2,17,19,21,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM78173
PNG
(4-nitro-N-({[2-(1-pyrrolidinyl)phenyl]amino}carbon...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NC(=S)Nc1ccccc1N1CCCC1
Show InChI InChI=1S/C18H18N4O3S/c23-17(13-7-9-14(10-8-13)22(24)25)20-18(26)19-15-5-1-2-6-16(15)21-11-3-4-12-21/h1-2,5-10H,3-4,11-12H2,(H2,19,20,23,26)
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n/an/a 4.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114471
PNG
((8-Ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-[1,2]d...)
Show SMILES CCOc1ccc2N(C(=O)c3ccco3)C(C)(C)c3ssc(=S)c3-c2c1
Show InChI InChI=1S/C19H17NO3S3/c1-4-22-11-7-8-13-12(10-11)15-16(25-26-18(15)24)19(2,3)20(13)17(21)14-6-5-9-23-14/h5-10H,4H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM57726
PNG
((2Z)-2-(4-chlorophenyl)sulfonyl-2-(phenylhydrazono...)
Show SMILES NNC(=O)C(=NNc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H13ClN4O3S/c15-10-6-8-12(9-7-10)23(21,22)14(13(20)17-16)19-18-11-4-2-1-3-5-11/h1-9,18H,16H2,(H,17,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114582
PNG
((5Z)-3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-...)
Show SMILES FC(F)(F)c1cnc(NN2C(=S)SC(=Cc3ccccn3)C2=O)c(Cl)c1
Show InChI InChI=1S/C15H8ClF3N4OS2/c16-10-5-8(15(17,18)19)7-21-12(10)22-23-13(24)11(26-14(23)25)6-9-3-1-2-4-20-9/h1-7H,(H,21,22)
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n/an/a 4.78E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM53801
PNG
(2-[(3,5-diketo-2H-1,2,4-triazin-6-yl)thio]-N-(p-an...)
Show SMILES COc1ccc(C=NNC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C13H13N5O4S/c1-22-9-4-2-8(3-5-9)6-14-16-10(19)7-23-12-11(20)15-13(21)18-17-12/h2-6H,7H2,1H3,(H,16,19)(H2,15,18,20,21)
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n/an/a 4.80E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM50705
PNG
((4E)-4-[[[2-allylimino-4-(2-furyl)-4-thiazolin-3-y...)
Show SMILES Oc1ccc(C=Nn2c(csc2=NCC=C)-c2ccco2)c(O)c1O
Show InChI InChI=1S/C17H15N3O4S/c1-2-7-18-17-20(12(10-25-17)14-4-3-8-24-14)19-9-11-5-6-13(21)16(23)15(11)22/h2-6,8-10,21-23H,1,7H2
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n/an/a 4.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM63667
PNG
(4-(2-fluorophenyl)-2-methylimino-N-[(Z)-2-pyrrolyl...)
Show SMILES CN=c1scc(-c2ccccc2F)n1N=Cc1ccc[nH]1
Show InChI InChI=1S/C15H13FN4S/c1-17-15-20(19-9-11-5-4-8-18-11)14(10-21-15)12-6-2-3-7-13(12)16/h2-10,18H,1H3/b17-15-,19-9+
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n/an/a 5.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114479
PNG
((1E)-1-[4-(4-bromophenyl)-3-phenyl-1,3-thiazol-2-y...)
Show SMILES CC(=O)C=C1SC=C(N1c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H14BrNOS/c1-13(21)11-18-20(16-5-3-2-4-6-16)17(12-22-18)14-7-9-15(19)10-8-14/h2-12H,1H3
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n/an/a 5.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM114562
PNG
(MLS001205004 | N-(N'-Benzoyl-hydrazinocarbothi...)
Show SMILES Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1ccccc1
Show InChI InChI=1S/C16H15N3O2S/c1-11-7-9-13(10-8-11)14(20)17-16(22)19-18-15(21)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,21)(H2,17,19,20,22)
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n/an/a 5.16E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
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