Compile Data Set for Download or QSAR
Found 15 Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50028381
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM20164((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...)
Show SMILES C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
Affinity DataEC50:  286nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258120(CHEMBL522370 | N-(4-(N-allyl-2-chlorophenylsulfona...)
Show SMILES CC(O)(C(=O)Nc1ccc(cc1Cl)N(CC=C)S(=O)(=O)c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C19H17Cl2F3N2O4S/c1-3-10-26(31(29,30)16-7-5-4-6-13(16)20)12-8-9-15(14(21)11-12)25-17(27)18(2,28)19(22,23)24/h3-9,11,28H,1,10H2,2H3,(H,25,27)
Affinity DataEC50:  580nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258121(CHEMBL495196 | N-(2-chloro-4-(4-cyano-N-methylphen...)
Show SMILES CN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C18H15ClF3N3O4S/c1-17(27,18(20,21)22)16(26)24-15-8-5-12(9-14(15)19)25(2)30(28,29)13-6-3-11(10-23)4-7-13/h3-9,27H,1-2H3,(H,24,26)
Affinity DataEC50:  2.60E+3nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258122(CHEMBL495197 | methyl 4-(N-(3-chloro-4-(3,3,3-trif...)
Show SMILES COC(=O)c1ccc(cc1)S(=O)(=O)N(C)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C19H18ClF3N2O6S/c1-18(28,19(21,22)23)17(27)24-15-9-6-12(10-14(15)20)25(2)32(29,30)13-7-4-11(5-8-13)16(26)31-3/h4-10,28H,1-3H3,(H,24,27)
Affinity DataEC50:  2.32E+3nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258030((S)-N-(2-chloro-4-(N-methylphenylsulfonamido)pheny...)
Show SMILES CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H16ClF3N2O4S/c1-16(25,17(19,20)21)15(24)22-14-9-8-11(10-13(14)18)23(2)28(26,27)12-6-4-3-5-7-12/h3-10,25H,1-2H3,(H,22,24)/t16-/m0/s1
Affinity DataEC50:  1.90E+3nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258171(4-(N-(3-chloro-4-(3,3,3-trifluoro-2-hydroxy-2-meth...)
Show SMILES CN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H16ClF3N2O6S/c1-17(28,18(20,21)22)16(27)23-14-8-5-11(9-13(14)19)24(2)31(29,30)12-6-3-10(4-7-12)15(25)26/h3-9,28H,1-2H3,(H,23,27)(H,25,26)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258172(CHEMBL521811 | methyl 3-(4-(N-(3-chloro-4-(3,3,3-t...)
Show SMILES COC(=O)CCc1ccc(cc1)S(=O)(=O)N(C)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C21H22ClF3N2O6S/c1-20(30,21(23,24)25)19(29)26-17-10-7-14(12-16(17)22)27(2)34(31,32)15-8-4-13(5-9-15)6-11-18(28)33-3/h4-5,7-10,12,30H,6,11H2,1-3H3,(H,26,29)
Affinity DataEC50:  3.50E+3nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
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 DataEC50:  78nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258073((S)-N-(2-chloro-4-(2-chloro-N-methylphenylsulfonam...)
Show SMILES CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H15Cl2F3N2O4S/c1-16(26,17(20,21)22)15(25)23-13-8-7-10(9-12(13)19)24(2)29(27,28)14-6-4-3-5-11(14)18/h3-9,26H,1-2H3,(H,23,25)/t16-/m0/s1
Affinity DataEC50:  626nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258074((S)-N-(2-chloro-4-(N,4-dimethylphenylsulfonamido)p...)
Show SMILES CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H18ClF3N2O4S/c1-11-4-7-13(8-5-11)29(27,28)24(3)12-6-9-15(14(19)10-12)23-16(25)17(2,26)18(20,21)22/h4-10,26H,1-3H3,(H,23,25)/t17-/m0/s1
Affinity DataEC50:  1.50E+3nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258075(CHEMBL523211 | N-(2-chloro-4-(2-chloro-N-ethylphen...)
Show SMILES CCN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H17Cl2F3N2O4S/c1-3-25(30(28,29)15-7-5-4-6-12(15)19)11-8-9-14(13(20)10-11)24-16(26)17(2,27)18(21,22)23/h4-10,27H,3H2,1-2H3,(H,24,26)
Affinity DataEC50:  790nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258076(CHEMBL494843 | N-(4-(N-benzyl-2-chlorophenylsulfon...)
Show SMILES CC(O)(C(=O)Nc1ccc(cc1Cl)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C23H19Cl2F3N2O4S/c1-22(32,23(26,27)28)21(31)29-19-12-11-16(13-18(19)25)30(14-15-7-3-2-4-8-15)35(33,34)20-10-6-5-9-17(20)24/h2-13,32H,14H2,1H3,(H,29,31)
Affinity DataEC50:  880nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258173(3-(4-(N-(3-chloro-4-(3,3,3-trifluoro-2-hydroxy-2-m...)
Show SMILES CN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C20H20ClF3N2O6S/c1-19(30,20(22,23)24)18(29)25-16-9-6-13(11-15(16)21)26(2)33(31,32)14-7-3-12(4-8-14)5-10-17(27)28/h3-4,6-9,11,30H,5,10H2,1-2H3,(H,25,29)(H,27,28)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
LigandPNGBDBM50258119(CHEMBL495020 | N-(2-chloro-4-(2-chloro-N-(cyclopro...)
Show SMILES CC(O)(C(=O)Nc1ccc(cc1Cl)N(CC1CC1)S(=O)(=O)c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C20H19Cl2F3N2O4S/c1-19(29,20(23,24)25)18(28)26-16-9-8-13(10-15(16)22)27(11-12-6-7-12)32(30,31)17-5-3-2-4-14(17)21/h2-5,8-10,12,29H,6-7,11H2,1H3,(H,26,28)
Affinity DataEC50:  940nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
AstraZeneca R&D Södertälje

Curated by ChEMBL
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 DataEC50:  8nMAssay Description:Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assayMore data for this Ligand-Target Pair