Compile Data Set for Download or QSAR
Found 26 Enz. Inhib. hit(s) with all data for entry = 2825
LigandPNGBDBM25077(6-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-y...)
Show SMILES FC(F)(F)c1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
Show InChI InChI=1S/C21H15F3N2O3S2/c22-21(23,24)14-4-1-12(2-5-14)7-8-26-15-9-13(3-6-16(15)29-11-18(26)27)10-17-19(28)25-20(30)31-17/h1-6,9-10H,7-8,11H2,(H,25,28,30)/b17-10-
Affinity DataIC50: 1.92nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25073(4-[2-(4-bromophenyl)ethyl]-6-{[(5Z)-4-oxo-2-sulfan...)
Show SMILES Brc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
Show InChI InChI=1S/C20H15BrN2O3S2/c21-14-4-1-12(2-5-14)7-8-23-15-9-13(3-6-16(15)26-11-18(23)24)10-17-19(25)22-20(27)28-17/h1-6,9-10H,7-8,11H2,(H,22,25,27)/b17-10-
Affinity DataIC50: 2.34nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25061(4-[(4-tert-butylphenyl)methyl]-6-{[(5Z)-4-oxo-2-su...)
Show SMILES CC(C)(C)c1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
Show InChI InChI=1S/C23H22N2O3S2/c1-23(2,3)16-7-4-14(5-8-16)12-25-17-10-15(6-9-18(17)28-13-20(25)26)11-19-21(27)24-22(29)30-19/h4-11H,12-13H2,1-3H3,(H,24,27,29)/b19-11-
Affinity DataIC50: 2.42nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25066(4-[(3,4-dimethylphenyl)methyl]-6-{[(5Z)-4-oxo-2-su...)
Show SMILES Cc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1C
Show InChI InChI=1S/C21H18N2O3S2/c1-12-3-4-15(7-13(12)2)10-23-16-8-14(5-6-17(16)26-11-19(23)24)9-18-20(25)22-21(27)28-18/h3-9H,10-11H2,1-2H3,(H,22,25,27)/b18-9-
Affinity DataIC50: 2.59nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25068(4-[2-(3,5-dimethylphenyl)ethyl]-6-{[(5Z)-4-oxo-2-s...)
Show SMILES Cc1cc(C)cc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c1
Show InChI InChI=1S/C22H20N2O3S2/c1-13-7-14(2)9-16(8-13)5-6-24-17-10-15(3-4-18(17)27-12-20(24)25)11-19-21(26)23-22(28)29-19/h3-4,7-11H,5-6,12H2,1-2H3,(H,23,26,28)/b19-11-
Affinity DataIC50: 2.65nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25080(4-[2-(3-methoxyphenyl)ethyl]-6-{[(5Z)-4-oxo-2-sulf...)
Show SMILES COc1cccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c1
Show InChI InChI=1S/C21H18N2O4S2/c1-26-15-4-2-3-13(9-15)7-8-23-16-10-14(5-6-17(16)27-12-19(23)24)11-18-20(25)22-21(28)29-18/h2-6,9-11H,7-8,12H2,1H3,(H,22,25,28)/b18-11-
Affinity DataIC50: 2.66nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25069(4-[2-(3,5-dimethoxyphenyl)ethyl]-6-{[(5Z)-4-oxo-2-...)
Show SMILES COc1cc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc(OC)c1
Show InChI InChI=1S/C22H20N2O5S2/c1-27-15-7-14(8-16(11-15)28-2)5-6-24-17-9-13(3-4-18(17)29-12-20(24)25)10-19-21(26)23-22(30)31-19/h3-4,7-11H,5-6,12H2,1-2H3,(H,23,26,30)/b19-10-
Affinity DataIC50: 2.79nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25074(4-[2-(3-chlorophenyl)ethyl]-6-{[(5Z)-4-oxo-2-sulfa...)
Show SMILES Clc1cccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c1
Show InChI InChI=1S/C20H15ClN2O3S2/c21-14-3-1-2-12(8-14)6-7-23-15-9-13(4-5-16(15)26-11-18(23)24)10-17-19(25)22-20(27)28-17/h1-5,8-10H,6-7,11H2,(H,22,25,27)/b17-10-
Affinity DataIC50: 4.27nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25078(4-[2-(2,4-dichlorophenyl)ethyl]-6-{[(5Z)-4-oxo-2-s...)
Show SMILES Clc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2N2O3S2/c21-13-3-2-12(14(22)9-13)5-6-24-15-7-11(1-4-16(15)27-10-18(24)25)8-17-19(26)23-20(28)29-17/h1-4,7-9H,5-6,10H2,(H,23,26,28)/b17-8-
Affinity DataIC50: 4.28nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25075(4-[2-(3,4-dichlorophenyl)ethyl]-6-{[(5Z)-4-oxo-2-s...)
Show SMILES Clc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl
Show InChI InChI=1S/C20H14Cl2N2O3S2/c21-13-3-1-11(7-14(13)22)5-6-24-15-8-12(2-4-16(15)27-10-18(24)25)9-17-19(26)23-20(28)29-17/h1-4,7-9H,5-6,10H2,(H,23,26,28)/b17-9-
Affinity DataIC50: 4.36nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25070(4-[2-(4-chlorophenyl)ethyl]-6-{[(5Z)-4-oxo-2-sulfa...)
Show SMILES Clc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
Show InChI InChI=1S/C20H15ClN2O3S2/c21-14-4-1-12(2-5-14)7-8-23-15-9-13(3-6-16(15)26-11-18(23)24)10-17-19(25)22-20(27)28-17/h1-6,9-10H,7-8,11H2,(H,22,25,27)/b17-10-
Affinity DataIC50: 4.76nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25081(4-[2-(3,4-difluorophenyl)ethyl]-6-{[(5Z)-4-oxo-2-s...)
Show SMILES Fc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1F
Show InChI InChI=1S/C20H14F2N2O3S2/c21-13-3-1-11(7-14(13)22)5-6-24-15-8-12(2-4-16(15)27-10-18(24)25)9-17-19(26)23-20(28)29-17/h1-4,7-9H,5-6,10H2,(H,23,26,28)/b17-9-
Affinity DataIC50: 4.84nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25079(4-[2-(3-methylphenyl)ethyl]-6-{[(5Z)-4-oxo-2-sulfa...)
Show SMILES Cc1cccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c1
Show InChI InChI=1S/C21H18N2O3S2/c1-13-3-2-4-14(9-13)7-8-23-16-10-15(5-6-17(16)26-12-19(23)24)11-18-20(25)22-21(27)28-18/h2-6,9-11H,7-8,12H2,1H3,(H,22,25,27)/b18-11-
Affinity DataIC50: 4.96nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25071(4-[2-(4-methoxyphenyl)ethyl]-6-{[(5Z)-4-oxo-2-sulf...)
Show SMILES COc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
Show InChI InChI=1S/C21H18N2O4S2/c1-26-15-5-2-13(3-6-15)8-9-23-16-10-14(4-7-17(16)27-12-19(23)24)11-18-20(25)22-21(28)29-18/h2-7,10-11H,8-9,12H2,1H3,(H,22,25,28)/b18-11-
Affinity DataIC50: 6.57nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25062(4-[(4-chlorophenyl)methyl]-6-{[(5Z)-4-oxo-2-sulfan...)
Show SMILES Clc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
Show InChI InChI=1S/C19H13ClN2O3S2/c20-13-4-1-11(2-5-13)9-22-14-7-12(3-6-15(14)25-10-17(22)23)8-16-18(24)21-19(26)27-16/h1-8H,9-10H2,(H,21,24,26)/b16-8-
Affinity DataIC50: 7.16nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25072(4-[2-(4-methylphenyl)ethyl]-6-{[(5Z)-4-oxo-2-sulfa...)
Show SMILES Cc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
Show InChI InChI=1S/C21H18N2O3S2/c1-13-2-4-14(5-3-13)8-9-23-16-10-15(6-7-17(16)26-12-19(23)24)11-18-20(25)22-21(27)28-18/h2-7,10-11H,8-9,12H2,1H3,(H,22,25,27)/b18-11-
Affinity DataIC50: 8.83nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM15234((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
Affinity DataIC50: 19nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25059(4-benzyl-6-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazo...)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2OCC(=O)N(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H14N2O3S2/c22-17-11-24-15-7-6-13(9-16-18(23)20-19(25)26-16)8-14(15)21(17)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,23,25)/b16-9-
Affinity DataIC50: 23nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25067(6-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-y...)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2OCC(=O)N(CCc3ccccc3)c2c1
Show InChI InChI=1S/C20H16N2O3S2/c23-18-12-25-16-7-6-14(11-17-19(24)21-20(26)27-17)10-15(16)22(18)9-8-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,21,24,26)/b17-11-
Affinity DataIC50: 24.5nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25064(6-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-y...)
Show SMILES FC(F)(F)c1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
Show InChI InChI=1S/C20H13F3N2O3S2/c21-20(22,23)13-4-1-11(2-5-13)9-25-14-7-12(3-6-15(14)28-10-17(25)26)8-16-18(27)24-19(29)30-16/h1-8H,9-10H2,(H,24,27,29)/b16-8-
Affinity DataIC50: 27.5nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25060(4-[(4-methylphenyl)methyl]-6-{[(5Z)-4-oxo-2-sulfan...)
Show SMILES Cc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
Show InChI InChI=1S/C20H16N2O3S2/c1-12-2-4-13(5-3-12)10-22-15-8-14(6-7-16(15)25-11-18(22)23)9-17-19(24)21-20(26)27-17/h2-9H,10-11H2,1H3,(H,21,24,26)/b17-9-
Affinity DataIC50: 29.5nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25076(4-[2-(4-tert-butylphenyl)ethyl]-6-{[(5Z)-4-oxo-2-s...)
Show SMILES CC(C)(C)c1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
Show InChI InChI=1S/C24H24N2O3S2/c1-24(2,3)17-7-4-15(5-8-17)10-11-26-18-12-16(6-9-19(18)29-14-21(26)27)13-20-22(28)25-23(30)31-20/h4-9,12-13H,10-11,14H2,1-3H3,(H,25,28,30)/b20-13-
Affinity DataIC50: 33.2nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25063(4-[(3-oxo-6-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiaz...)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2OCC(=O)N(Cc3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C20H13N3O3S2/c21-9-12-1-3-13(4-2-12)10-23-15-7-14(5-6-16(15)26-11-18(23)24)8-17-19(25)22-20(27)28-17/h1-8H,10-11H2,(H,22,25,27)/b17-8-
Affinity DataIC50: 36.1nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25065(4-[(3-methylphenyl)methyl]-6-{[(5Z)-4-oxo-2-sulfan...)
Show SMILES Cc1cccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c1
Show InChI InChI=1S/C20H16N2O3S2/c1-12-3-2-4-14(7-12)10-22-15-8-13(5-6-16(15)25-11-18(22)23)9-17-19(24)21-20(26)27-17/h2-9H,10-11H2,1H3,(H,21,24,26)/b17-9-
Affinity DataIC50: 43.7nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM25058((5Z)-5-[(3-hydroxy-5-methoxyphenyl)methylidene]-2-...)
Show SMILES COc1cc(O)cc(\C=C2/SC(=S)NC2=O)c1
Show InChI InChI=1S/C11H9NO3S2/c1-15-8-3-6(2-7(13)5-8)4-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)/b9-4-
Affinity DataIC50: 77.7nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair
LigandPNGBDBM12915(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
Affinity DataIC50: 1.72E+3nMpH: 7.4 T: 2°CAssay Description:PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa...More data for this Ligand-Target Pair