Compile Data Set for Download or QSAR
Found 48 Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2723
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23848(25-methoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1^{15...)
Show SMILES COc1cc2CCc3cccc(Oc4ccc(CCc5ccccc5-c1cc2)cc4)c3
Show InChI InChI=1S/C29H26O2/c1-30-29-20-23-10-9-22-5-4-7-26(19-22)31-25-16-12-21(13-17-25)11-15-24-6-2-3-8-27(24)28(29)18-14-23/h2-8,12-14,16-20H,9-11,15H2,1H3
Affinity DataIC50: 2.50E+3nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23853(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1cc2CCc3cccc(Oc4ccc(CCc5ccccc5-c1cc2)cc4)c3
Show InChI InChI=1S/C28H24O2/c29-28-19-22-9-8-21-4-3-6-25(18-21)30-24-15-11-20(12-16-24)10-14-23-5-1-2-7-26(23)27(28)17-13-22/h1-7,11-13,15-19,29H,8-10,14H2
Affinity DataIC50: 3.20E+3nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23850(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4O)cc3)c1
Show InChI InChI=1S/C28H24O3/c29-24-12-15-26-22-9-3-19(4-10-22)1-2-21-8-16-27(30)28(17-21)31-25-13-6-20(7-14-25)5-11-23(26)18-24/h3-4,6-10,12-18,29-30H,1-2,5,11H2
Affinity DataIC50: 4.40E+3nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM19992(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)
Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
Affinity DataIC50: 4.80E+3nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23850(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4O)cc3)c1
Show InChI InChI=1S/C28H24O3/c29-24-12-15-26-22-9-3-19(4-10-22)1-2-21-8-16-27(30)28(17-21)31-25-13-6-20(7-14-25)5-11-23(26)18-24/h3-4,6-10,12-18,29-30H,1-2,5,11H2
Affinity DataIC50: 4.90E+3nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23851(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(O)c5)c4)cc3)c1
Show InChI InChI=1S/C28H24O3/c29-23-11-15-26-22(18-23)10-6-19-7-12-24(13-8-19)31-25-3-1-2-20(16-25)4-5-21-9-14-27(26)28(30)17-21/h1-3,7-9,11-18,29-30H,4-6,10H2
Affinity DataIC50: 5.10E+3nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23852(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3
Show InChI InChI=1S/C28H24O2/c29-27-18-12-22-6-5-20-8-14-24(15-9-20)26-4-2-1-3-23(26)13-7-21-10-16-25(17-11-21)30-28(27)19-22/h1-4,8-12,14-19,29H,5-7,13H2
Affinity DataIC50: 5.70E+3nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23839(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(O)c5)ccc4O)cc3)c1
Show InChI InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2
Affinity DataIC50: 6.60E+3nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23849(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc2CCc3ccc(c(O)c3)-c3ccccc3CCc3ccc(Oc1c2)cc3
Show InChI InChI=1S/C28H24O3/c29-26-16-11-21-6-5-20-10-15-25(27(30)17-20)24-4-2-1-3-22(24)12-7-19-8-13-23(14-9-19)31-28(26)18-21/h1-4,8-11,13-18,29-30H,5-7,12H2
Affinity DataIC50: 6.60E+3nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23854(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES C1Cc2cccc(Oc3ccc(CCc4ccccc4-c4ccc1cc4)cc3)c2
Show InChI InChI=1S/C28H24O/c1-2-7-28-24(5-1)15-10-22-13-18-26(19-14-22)29-27-6-3-4-23(20-27)9-8-21-11-16-25(28)17-12-21/h1-7,11-14,16-20H,8-10,15H2
Affinity DataIC50: 7.10E+3nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23853(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1cc2CCc3cccc(Oc4ccc(CCc5ccccc5-c1cc2)cc4)c3
Show InChI InChI=1S/C28H24O2/c29-28-19-22-9-8-21-4-3-6-25(18-21)30-24-15-11-20(12-16-24)10-14-23-5-1-2-7-26(23)27(28)17-13-22/h1-7,11-13,15-19,29H,8-10,14H2
Affinity DataIC50: 7.30E+3nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23850(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4O)cc3)c1
Show InChI InChI=1S/C28H24O3/c29-24-12-15-26-22-9-3-19(4-10-22)1-2-21-8-16-27(30)28(17-21)31-25-13-6-20(7-14-25)5-11-23(26)18-24/h3-4,6-10,12-18,29-30H,1-2,5,11H2
Affinity DataIC50: 7.60E+3nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23847(16-methoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1^{15...)
Show SMILES COc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3
Show InChI InChI=1S/C29H26O2/c1-30-28-19-13-23-7-6-21-9-15-25(16-10-21)27-5-3-2-4-24(27)14-8-22-11-17-26(18-12-22)31-29(28)20-23/h2-5,9-13,15-20H,6-8,14H2,1H3
Affinity DataIC50: 7.60E+3nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23842(2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S
Show InChI InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3
Affinity DataIC50: 8.00E+3nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23851(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(O)c5)c4)cc3)c1
Show InChI InChI=1S/C28H24O3/c29-23-11-15-26-22(18-23)10-6-19-7-12-24(13-8-19)31-25-3-1-2-20(16-25)4-5-21-9-14-27(26)28(30)17-21/h1-3,7-9,11-18,29-30H,4-6,10H2
Affinity DataIC50: 8.40E+3nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23849(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc2CCc3ccc(c(O)c3)-c3ccccc3CCc3ccc(Oc1c2)cc3
Show InChI InChI=1S/C28H24O3/c29-26-16-11-21-6-5-20-10-15-25(27(30)17-20)24-4-2-1-3-22(24)12-7-19-8-13-23(14-9-19)31-28(26)18-21/h1-4,8-11,13-18,29-30H,5-7,12H2
Affinity DataIC50: 8.60E+3nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23839(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(O)c5)ccc4O)cc3)c1
Show InChI InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2
Affinity DataIC50: 9.90E+3nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23851(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(O)c5)c4)cc3)c1
Show InChI InChI=1S/C28H24O3/c29-23-11-15-26-22(18-23)10-6-19-7-12-24(13-8-19)31-25-3-1-2-20(16-25)4-5-21-9-14-27(26)28(30)17-21/h1-3,7-9,11-18,29-30H,4-6,10H2
Affinity DataIC50: 1.00E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23848(25-methoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1^{15...)
Show SMILES COc1cc2CCc3cccc(Oc4ccc(CCc5ccccc5-c1cc2)cc4)c3
Show InChI InChI=1S/C29H26O2/c1-30-29-20-23-10-9-22-5-4-7-26(19-22)31-25-16-12-21(13-17-25)11-15-24-6-2-3-8-27(24)28(29)18-14-23/h2-8,12-14,16-20H,9-11,15H2,1H3
Affinity DataIC50: 1.10E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23844(16,25-dimethoxy-14-oxapentacyclo[20.2.2.2^{10,13}....)
Show SMILES COc1ccc2CCc3ccc(c(OC)c3)-c3ccccc3CCc3ccc(Oc1c2)cc3
Show InChI InChI=1S/C30H28O3/c1-31-28-18-13-23-8-7-22-12-17-27(29(19-22)32-2)26-6-4-3-5-24(26)14-9-21-10-15-25(16-11-21)33-30(28)20-23/h3-6,10-13,15-20H,7-9,14H2,1-2H3
Affinity DataIC50: 1.20E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23849(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc2CCc3ccc(c(O)c3)-c3ccccc3CCc3ccc(Oc1c2)cc3
Show InChI InChI=1S/C28H24O3/c29-26-16-11-21-6-5-20-10-15-25(27(30)17-20)24-4-2-1-3-22(24)12-7-19-8-13-23(14-9-19)31-28(26)18-21/h1-4,8-11,13-18,29-30H,5-7,12H2
Affinity DataIC50: 1.30E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23843(5,16,25-trimethoxy-14-oxapentacyclo[20.2.2.2^{10,1...)
Show SMILES COc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(OC)c5)ccc4OC)cc3)c1
Show InChI InChI=1S/C31H30O4/c1-32-26-14-16-27-24(20-26)11-6-21-7-12-25(13-8-21)35-31-19-23(10-17-29(31)33-2)5-4-22-9-15-28(27)30(18-22)34-3/h7-10,12-20H,4-6,11H2,1-3H3
Affinity DataIC50: 1.40E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23852(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3
Show InChI InChI=1S/C28H24O2/c29-27-18-12-22-6-5-20-8-14-24(15-9-20)26-4-2-1-3-23(26)13-7-21-10-16-25(17-11-21)30-28(27)19-22/h1-4,8-12,14-19,29H,5-7,13H2
Affinity DataIC50: 1.40E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23852(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3
Show InChI InChI=1S/C28H24O2/c29-27-18-12-22-6-5-20-8-14-24(15-9-20)26-4-2-1-3-23(26)13-7-21-10-16-25(17-11-21)30-28(27)19-22/h1-4,8-12,14-19,29H,5-7,13H2
Affinity DataIC50: 1.50E+4nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23840(2-[2-(2-phenylethyl)phenyl]-2,3-dihydro-1H-isoindo...)
Show SMILES O=C1N(C(=O)c2ccccc12)c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C22H17NO2/c24-21-18-11-5-6-12-19(18)22(25)23(21)20-13-7-4-10-17(20)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2
Affinity DataIC50: 1.62E+4nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23854(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES C1Cc2cccc(Oc3ccc(CCc4ccccc4-c4ccc1cc4)cc3)c2
Show InChI InChI=1S/C28H24O/c1-2-7-28-24(5-1)15-10-22-13-18-26(19-14-22)29-27-6-3-4-23(20-27)9-8-21-11-16-25(28)17-12-21/h1-7,11-14,16-20H,8-10,15H2
Affinity DataIC50: 1.80E+4nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23842(2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S
Show InChI InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3
Affinity DataIC50: 1.80E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23853(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES Oc1cc2CCc3cccc(Oc4ccc(CCc5ccccc5-c1cc2)cc4)c3
Show InChI InChI=1S/C28H24O2/c29-28-19-22-9-8-21-4-3-6-25(18-21)30-24-15-11-20(12-16-24)10-14-23-5-1-2-7-26(23)27(28)17-13-22/h1-7,11-13,15-19,29H,8-10,14H2
Affinity DataIC50: 1.90E+4nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM19459(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Affinity DataIC50: 2.20E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23841(2-(2-hexylphenyl)-2,3-dihydro-1H-isoindole-1,3-dio...)
Show SMILES CCCCCCc1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H21NO2/c1-2-3-4-5-10-15-11-6-9-14-18(15)21-19(22)16-12-7-8-13-17(16)20(21)23/h6-9,11-14H,2-5,10H2,1H3
Affinity DataIC50: 2.47E+4nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23846(5,25-dimethoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1...)
Show SMILES COc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(OC)c5)c4)cc3)c1
Show InChI InChI=1S/C30H28O3/c1-31-26-15-17-28-24(20-26)12-8-21-9-13-25(14-10-21)33-27-5-3-4-22(18-27)6-7-23-11-16-29(28)30(19-23)32-2/h3-5,9-11,13-20H,6-8,12H2,1-2H3
Affinity DataIC50: 2.50E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23845(5,16-dimethoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1...)
Show SMILES COc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4OC)cc3)c1
Show InChI InChI=1S/C30H28O3/c1-31-27-16-17-28-24-11-5-21(6-12-24)3-4-23-10-18-29(32-2)30(19-23)33-26-14-8-22(9-15-26)7-13-25(28)20-27/h5-6,8-12,14-20H,3-4,7,13H2,1-2H3
Affinity DataIC50: 2.60E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23846(5,25-dimethoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1...)
Show SMILES COc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(OC)c5)c4)cc3)c1
Show InChI InChI=1S/C30H28O3/c1-31-26-15-17-28-24(20-26)12-8-21-9-13-25(14-10-21)33-27-5-3-4-22(18-27)6-7-23-11-16-29(28)30(19-23)32-2/h3-5,9-11,13-20H,6-8,12H2,1-2H3
Affinity DataIC50: 3.00E+4nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23845(5,16-dimethoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1...)
Show SMILES COc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4OC)cc3)c1
Show InChI InChI=1S/C30H28O3/c1-31-27-16-17-28-24-11-5-21(6-12-24)3-4-23-10-18-29(32-2)30(19-23)33-26-14-8-22(9-15-26)7-13-25(28)20-27/h5-6,8-12,14-20H,3-4,7,13H2,1-2H3
Affinity DataIC50: 4.00E+4nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23847(16-methoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1^{15...)
Show SMILES COc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3
Show InChI InChI=1S/C29H26O2/c1-30-28-19-13-23-7-6-21-9-15-25(16-10-21)27-5-3-2-4-24(27)14-8-22-11-17-26(18-12-22)31-29(28)20-23/h2-5,9-13,15-20H,6-8,14H2,1H3
Affinity DataIC50: 4.10E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23844(16,25-dimethoxy-14-oxapentacyclo[20.2.2.2^{10,13}....)
Show SMILES COc1ccc2CCc3ccc(c(OC)c3)-c3ccccc3CCc3ccc(Oc1c2)cc3
Show InChI InChI=1S/C30H28O3/c1-31-28-18-13-23-8-7-22-12-17-27(29(19-22)32-2)26-6-4-3-5-24(26)14-9-21-10-15-25(16-11-21)33-30(28)20-23/h3-6,10-13,15-20H,7-9,14H2,1-2H3
Affinity DataIC50: 4.20E+4nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23840(2-[2-(2-phenylethyl)phenyl]-2,3-dihydro-1H-isoindo...)
Show SMILES O=C1N(C(=O)c2ccccc12)c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C22H17NO2/c24-21-18-11-5-6-12-19(18)22(25)23(21)20-13-7-4-10-17(20)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2
Affinity DataIC50: 4.40E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23846(5,25-dimethoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1...)
Show SMILES COc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(OC)c5)c4)cc3)c1
Show InChI InChI=1S/C30H28O3/c1-31-26-15-17-28-24(20-26)12-8-21-9-13-25(14-10-21)33-27-5-3-4-22(18-27)6-7-23-11-16-29(28)30(19-23)32-2/h3-5,9-11,13-20H,6-8,12H2,1-2H3
Affinity DataIC50: 4.60E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23843(5,16,25-trimethoxy-14-oxapentacyclo[20.2.2.2^{10,1...)
Show SMILES COc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(OC)c5)ccc4OC)cc3)c1
Show InChI InChI=1S/C31H30O4/c1-32-26-14-16-27-24(20-26)11-6-21-7-12-25(13-8-21)35-31-19-23(10-17-29(31)33-2)5-4-22-9-15-28(27)30(18-22)34-3/h7-10,12-20H,4-6,11H2,1-3H3
Affinity DataIC50: 4.90E+4nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23841(2-(2-hexylphenyl)-2,3-dihydro-1H-isoindole-1,3-dio...)
Show SMILES CCCCCCc1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H21NO2/c1-2-3-4-5-10-15-11-6-9-14-18(15)21-19(22)16-12-7-8-13-17(16)20(21)23/h6-9,11-14H,2-5,10H2,1H3
Affinity DataIC50: 6.50E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23848(25-methoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1^{15...)
Show SMILES COc1cc2CCc3cccc(Oc4ccc(CCc5ccccc5-c1cc2)cc4)c3
Show InChI InChI=1S/C29H26O2/c1-30-29-20-23-10-9-22-5-4-7-26(19-22)31-25-16-12-21(13-17-25)11-15-24-6-2-3-8-27(24)28(29)18-14-23/h2-8,12-14,16-20H,9-11,15H2,1H3
Affinity DataIC50: 6.70E+4nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM23854(14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...)
Show SMILES C1Cc2cccc(Oc3ccc(CCc4ccccc4-c4ccc1cc4)cc3)c2
Show InChI InChI=1S/C28H24O/c1-2-7-28-24(5-1)15-10-22-13-18-26(19-14-22)29-27-6-3-4-23(20-27)9-8-21-11-16-25(28)17-12-21/h1-7,11-14,16-20H,8-10,15H2
Affinity DataIC50: 7.70E+4nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
University of Tokyo

LigandPNGBDBM18351((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM19993(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
Affinity DataIC50: 1.00E+5nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23838((2R,5S,14S,16R)-14-[(2S,3R)-3-hydroxy-6-methylhept...)
Show SMILES CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CCC2C1[C@H](C)CC1C2CC=C2C[C@@H](O)CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-16(2)6-11-25(29)18(4)21-9-10-23-22-8-7-19-15-20(28)12-13-27(19,5)24(22)14-17(3)26(21)23/h7,16-18,20-26,28-29H,6,8-15H2,1-5H3/t17-,18+,20+,21-,22?,23?,24?,25-,26?,27+/m1/s1
Affinity DataIC50: 1.00E+5nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM19459(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Affinity DataIC50: 1.00E+5nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM23847(16-methoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1^{15...)
Show SMILES COc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3
Show InChI InChI=1S/C29H26O2/c1-30-28-19-13-23-7-6-21-9-15-25(16-10-21)27-5-3-2-4-24(27)14-8-22-11-17-26(18-12-22)31-29(28)20-23/h2-5,9-13,15-20H,6-8,14H2,1H3
Affinity DataIC50: 1.00E+5nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair
TargetAlpha-glucosidase MAL32(Saccharomyces cerevisiae)
University of Tokyo

LigandPNGBDBM18351((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
Affinity DataIC50: 2.50E+5nMpH: 7.0 T: 2°CAssay Description:The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...More data for this Ligand-Target Pair