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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2 group 1B' AND taxid = 10116   
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 A2 group 1B


(Rattus norvegicus)
BDBM50281623
PNG
(2-(4-fluorophenyl)-6-(2-naphthylsulfanyl)-1-hexana...)
Show SMILES NCC(CCCCSc1ccc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNS/c23-21-11-8-18(9-12-21)20(16-24)7-3-4-14-25-22-13-10-17-5-1-2-6-19(17)15-22/h1-2,5-6,8-13,15,20H,3-4,7,14,16,24H2
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50281621
PNG
(6-[4-(tert-butyl)phenylsulfanyl]-2-(4-fluorophenyl...)
Show SMILES CC(C)(C)c1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H30FNS/c1-22(2,3)19-9-13-21(14-10-19)25-15-5-4-6-18(16-24)17-7-11-20(23)12-8-17/h7-14,18H,4-6,15-16,24H2,1-3H3
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n/an/a 4.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50281622
PNG
(2-(4-fluorophenyl)-6-(4-methylphenylsulfanyl)-1-he...)
Show SMILES Cc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H24FNS/c1-15-5-11-19(12-6-15)22-13-3-2-4-17(14-21)16-7-9-18(20)10-8-16/h5-12,17H,2-4,13-14,21H2,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50281625
PNG
(2-(4-fluorophenyl)-7-(4-methylphenylsulfanyl)-1-he...)
Show SMILES Cc1ccc(SCCCCCC(CN)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H26FNS/c1-16-6-12-20(13-7-16)23-14-4-2-3-5-18(15-22)17-8-10-19(21)11-9-17/h6-13,18H,2-5,14-15,22H2,1H3
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n/an/a 6.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50281626
PNG
(2-(4-fluorophenyl)-5-(2-naphthylsulfanyl)-1-pentan...)
Show SMILES NCC(CCCSc1ccc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C21H22FNS/c22-20-10-7-17(8-11-20)19(15-23)6-3-13-24-21-12-9-16-4-1-2-5-18(16)14-21/h1-2,4-5,7-12,14,19H,3,6,13,15,23H2
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n/an/a 1.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a>2.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50281624
PNG
(2-(4-fluorophenyl)-5-(4-methylphenylsulfanyl)-1-pe...)
Show SMILES Cc1ccc(SCCCC(CN)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H22FNS/c1-14-4-10-18(11-5-14)21-12-2-3-16(13-20)15-6-8-17(19)9-7-15/h4-11,16H,2-3,12-13,20H2,1H3
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n/an/a 2.83E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50281624
PNG
(2-(4-fluorophenyl)-5-(4-methylphenylsulfanyl)-1-pe...)
Show SMILES Cc1ccc(SCCCC(CN)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H22FNS/c1-14-4-10-18(11-5-14)21-12-2-3-16(13-20)15-6-8-17(19)9-7-15/h4-11,16H,2-3,12-13,20H2,1H3
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n/an/a 5.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50183250
PNG
(2-(3-(4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)pheno...)
Show SMILES Oc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(Oc2cc(ccc2O)-c2cc(O)c3c(cc(O)cc3=O)o2)cc1
Show InChI InChI=1S/C30H18O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-13,31-33,36-37H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibition of rat cloned sPLA2-1B expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50183248
PNG
(2-{4-[4-(4-oxo-4H-chromen-2-yl)phenyl]phenyl}-4H-c...)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C30H18O4/c31-25-17-29(33-27-7-3-1-5-23(25)27)21-13-9-19(10-14-21)20-11-15-22(16-12-20)30-18-26(32)24-6-2-4-8-28(24)34-30/h1-18H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibition of rat cloned sPLA2-1B expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50183245
PNG
(6-[4-(4-Oxo-4H-chromen-2-yl)-phenyl]-2-phenyl-chro...)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C30H18O4/c31-25-17-30(33-27-9-5-4-8-23(25)27)21-12-10-19(11-13-21)22-14-15-28-24(16-22)26(32)18-29(34-28)20-6-2-1-3-7-20/h1-18H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibition of rat cloned sPLA2-1B expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50183244
PNG
(3-(4-(4-oxo-4H-chromen-2-yl)phenyl)-2-phenyl-4H-ch...)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C30H18O4/c31-24-18-27(33-25-12-6-4-10-22(24)25)19-14-16-20(17-15-19)28-29(32)23-11-5-7-13-26(23)34-30(28)21-8-2-1-3-9-21/h1-18H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibition of rat cloned sPLA2-1B expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50183246
PNG
(6-[3-(4-Oxo-4H-chromen-2-yl)-phenyl]-2-phenyl-chro...)
Show SMILES O=c1cc(oc2ccccc12)-c1cccc(c1)-c1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C30H18O4/c31-25-17-30(33-27-12-5-4-11-23(25)27)22-10-6-9-20(15-22)21-13-14-28-24(16-21)26(32)18-29(34-28)19-7-2-1-3-8-19/h1-18H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibition of rat cloned sPLA2-1B expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50183249
PNG
(2,2'-Diphenyl-[6,6']bichromenyl-4,4'-dione | CHEMB...)
Show SMILES O=c1cc(oc2ccc(cc12)-c1ccc2oc(cc(=O)c2c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H18O4/c31-25-17-29(19-7-3-1-4-8-19)33-27-13-11-21(15-23(25)27)22-12-14-28-24(16-22)26(32)18-30(34-28)20-9-5-2-6-10-20/h1-18H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibition of rat cloned sPLA2-1B expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50183247
PNG
(2-{4-[3-(4-oxo-4H-chromen-2-yl)phenyl]phenyl}-4H-c...)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1cccc(c1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C30H18O4/c31-25-17-29(33-27-10-3-1-8-23(25)27)20-14-12-19(13-15-20)21-6-5-7-22(16-21)30-18-26(32)24-9-2-4-11-28(24)34-30/h1-18H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibition of rat cloned sPLA2-1B expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50129952
PNG
(2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1
Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibition of rat cloned sPLA2-1B expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
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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n/an/a 2.50E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a>7.50E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Citation and Details
More data for this
Ligand-Target Pair