Compile Data Set for Download or QSAR

PubMed code 31638797

Found 193 hits of Enzyme Inhibition Constant Data   

TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509337(CHEMBL4555822)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C29H27F8NO5S/c30-20-2-1-3-21(15-20)44(42,43)26-12-13-38(24(39)16-4-6-17(7-5-16)25(40)41)23(26)11-8-18-14-19(9-10-22(18)26)27(31,28(32,33)34)29(35,36)37/h1-3,9-10,14-17,23H,4-8,11-13H2,(H,40,41)/t16-,17-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382353(US10273259, Example 66 | US10711020, Example 66)
Show SMILES C[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H29F8NO5S/c1-26(12-10-17(11-13-26)24(40)41)25(42)39-15-14-27(45(43,44)21-6-4-20(31)5-7-21)22-8-3-19(16-18(22)2-9-23(27)39)28(32,29(33,34)35)30(36,37)38/h3-8,16-17,23H,2,9-15H2,1H3,(H,40,41)/t17-,23-,26-,27-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509337(CHEMBL4555822)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C29H27F8NO5S/c30-20-2-1-3-21(15-20)44(42,43)26-12-13-38(24(39)16-4-6-17(7-5-16)25(40)41)23(26)11-8-18-14-19(9-10-22(18)26)27(31,28(32,33)34)29(35,36)37/h1-3,9-10,14-17,23H,4-8,11-13H2,(H,40,41)/t16-,17-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509333(CHEMBL4566371)
Show SMILES CN1C[C@H]2N(CC[C@]2(c2ccc(cc12)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)C1(O)CCS(=O)(=O)CC1
Show InChI InChI=1S/C27H26F8N2O6S2/c1-36-15-21-24(45(42,43)18-5-3-17(28)4-6-18,8-11-37(21)22(38)23(39)9-12-44(40,41)13-10-23)19-7-2-16(14-20(19)36)25(29,26(30,31)32)27(33,34)35/h2-7,14,21,39H,8-13,15H2,1H3/t21-,24-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509340(CHEMBL4475601)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C29H27ClF7NO5S/c30-20-2-1-3-21(15-20)44(42,43)26-12-13-38(24(39)16-4-6-17(7-5-16)25(40)41)23(26)11-8-18-14-19(9-10-22(18)26)27(31,28(32,33)34)29(35,36)37/h1-3,9-10,14-17,23H,4-8,11-13H2,(H,40,41)/t16-,17-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509327(CHEMBL4464711)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CNc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H26F8N2O5S/c29-18-6-8-19(9-7-18)44(42,43)25-11-12-38(23(39)15-1-3-16(4-2-15)24(40)41)22(25)14-37-21-13-17(5-10-20(21)25)26(30,27(31,32)33)28(34,35)36/h5-10,13,15-16,22,37H,1-4,11-12,14H2,(H,40,41)/t15-,16-,22-,25-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509327(CHEMBL4464711)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CNc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H26F8N2O5S/c29-18-6-8-19(9-7-18)44(42,43)25-11-12-38(23(39)15-1-3-16(4-2-15)24(40)41)22(25)14-37-21-13-17(5-10-20(21)25)26(30,27(31,32)33)28(34,35)36/h5-10,13,15-16,22,37H,1-4,11-12,14H2,(H,40,41)/t15-,16-,22-,25-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509330(CHEMBL4525527)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClF7NO5S/c30-20-7-9-21(10-8-20)44(42,43)26-13-14-38(24(39)16-1-3-17(4-2-16)25(40)41)23(26)12-5-18-15-19(6-11-22(18)26)27(31,28(32,33)34)29(35,36)37/h6-11,15-17,23H,1-5,12-14H2,(H,40,41)/t16-,17-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382356(US10273259, Example 69 | US10711020, Example 69)
Show SMILES OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F8NO6S2/c28-18-3-5-19(6-4-18)44(41,42)24-9-12-36(22(37)23(38)10-13-43(39,40)14-11-23)21(24)8-1-16-15-17(2-7-20(16)24)25(29,26(30,31)32)27(33,34)35/h2-7,15,21,38H,1,8-14H2/t21-,24-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509329(CHEMBL4578712)
Show SMILES OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1COc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H23F8NO7S2/c27-16-2-4-17(5-3-16)44(40,41)23-7-10-35(21(36)22(37)8-11-43(38,39)12-9-22)20(23)14-42-19-13-15(1-6-18(19)23)24(28,25(29,30)31)26(32,33)34/h1-6,13,20,37H,7-12,14H2/t20-,23-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382201(US10273259, Example 13 | US10711020, Example 13)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28F8N2O4S/c1-17(40)38-13-10-18(11-14-38)25(41)39-15-12-26(44(42,43)22-6-4-21(30)5-7-22)23-8-3-20(16-19(23)2-9-24(26)39)27(31,28(32,33)34)29(35,36)37/h3-8,16,18,24H,2,9-15H2,1H3/t24-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382195(US10273259, Example 11 | US10711020, Example 11)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C27H25F8NO5S2/c28-19-3-5-20(6-4-19)43(40,41)24-11-12-36(23(37)16-9-13-42(38,39)14-10-16)22(24)8-1-17-15-18(2-7-21(17)24)25(29,26(30,31)32)27(33,34)35/h2-7,15-16,22H,1,8-14H2/t22-,24-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509339(CHEMBL4527982)
Show SMILES CCN1C[C@H]2N(CC[C@]2(c2ccc(cc12)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C30H30F8N2O5S/c1-2-39-16-24-27(46(44,45)21-10-8-20(31)9-11-21,13-14-40(24)25(41)17-3-5-18(6-4-17)26(42)43)22-12-7-19(15-23(22)39)28(32,29(33,34)35)30(36,37)38/h7-12,15,17-18,24H,2-6,13-14,16H2,1H3,(H,42,43)/t17-,18-,24-,27-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382280(US10273259, Example 49 | US10711020, Example 49)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H28F7NO5S/c30-27(28(31,32)33,29(34,35)36)20-11-12-22-19(16-20)10-13-23-26(22,43(41,42)21-4-2-1-3-5-21)14-15-37(23)24(38)17-6-8-18(9-7-17)25(39)40/h1-5,11-12,16-18,23H,6-10,13-15H2,(H,39,40)/t17-,18-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509328(CHEMBL4452650)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C30H30F7NO5S/c31-28(29(32,33)34,30(35,36)37)22-11-12-23-21(16-22)10-13-24-27(23,44(42,43)17-18-4-2-1-3-5-18)14-15-38(24)25(39)19-6-8-20(9-7-19)26(40)41/h1-5,11-12,16,19-20,24H,6-10,13-15,17H2,(H,40,41)/t19-,20-,24-,27-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382353(US10273259, Example 66 | US10711020, Example 66)
Show SMILES C[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H29F8NO5S/c1-26(12-10-17(11-13-26)24(40)41)25(42)39-15-14-27(45(43,44)21-6-4-20(31)5-7-21)22-8-3-19(16-18(22)2-9-23(27)39)28(32,29(33,34)35)30(36,37)38/h3-8,16-17,23H,2,9-15H2,1H3,(H,40,41)/t17-,23-,26-,27-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382201(US10273259, Example 13 | US10711020, Example 13)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28F8N2O4S/c1-17(40)38-13-10-18(11-14-38)25(41)39-15-12-26(44(42,43)22-6-4-21(30)5-7-22)23-8-3-20(16-19(23)2-9-24(26)39)27(31,28(32,33)34)29(35,36)37/h3-8,16,18,24H,2,9-15H2,1H3/t24-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F8NO5S/c30-20-7-9-21(10-8-20)44(42,43)26-13-14-38(24(39)16-1-3-17(4-2-16)25(40)41)23(26)12-5-18-15-19(6-11-22(18)26)27(31,28(32,33)34)29(35,36)37/h6-11,15-17,23H,1-5,12-14H2,(H,40,41)/t16-,17-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382280(US10273259, Example 49 | US10711020, Example 49)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H28F7NO5S/c30-27(28(31,32)33,29(34,35)36)20-11-12-22-19(16-20)10-13-23-26(22,43(41,42)21-4-2-1-3-5-21)14-15-37(23)24(38)17-6-8-18(9-7-17)25(39)40/h1-5,11-12,16-18,23H,6-10,13-15H2,(H,39,40)/t17-,18-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509332(CHEMBL4462790)
Show SMILES Cc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C30H30F7NO5S/c1-17-2-10-22(11-3-17)44(42,43)27-14-15-38(25(39)18-4-6-19(7-5-18)26(40)41)24(27)13-8-20-16-21(9-12-23(20)27)28(31,29(32,33)34)30(35,36)37/h2-3,9-12,16,18-19,24H,4-8,13-15H2,1H3,(H,40,41)/t18-,19-,24-,27-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382280(US10273259, Example 49 | US10711020, Example 49)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H28F7NO5S/c30-27(28(31,32)33,29(34,35)36)20-11-12-22-19(16-20)10-13-23-26(22,43(41,42)21-4-2-1-3-5-21)14-15-37(23)24(38)17-6-8-18(9-7-17)25(39)40/h1-5,11-12,16-18,23H,6-10,13-15H2,(H,39,40)/t17-,18-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382356(US10273259, Example 69 | US10711020, Example 69)
Show SMILES OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F8NO6S2/c28-18-3-5-19(6-4-18)44(41,42)24-9-12-36(22(37)23(38)10-13-43(39,40)14-11-23)21(24)8-1-16-15-17(2-7-20(16)24)25(29,26(30,31)32)27(33,34)35/h2-7,15,21,38H,1,8-14H2/t21-,24-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509341(CHEMBL4465091)
Show SMILES OC(=O)[C@H]1CC[C@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F8NO5S/c30-20-7-9-21(10-8-20)44(42,43)26-13-14-38(24(39)16-1-3-17(4-2-16)25(40)41)23(26)12-5-18-15-19(6-11-22(18)26)27(31,28(32,33)34)29(35,36)37/h6-11,15-17,23H,1-5,12-14H2,(H,40,41)/t16-,17+,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382181((1S,4s)-4-fluoro-4-((3aR,9bR)-9b-((4-fluorophenyl)...)
Show SMILES OC(=O)[C@H]1CC[C@@](F)(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H26F9NO5S/c30-19-3-5-20(6-4-19)45(43,44)26-13-14-39(24(42)25(31)11-9-16(10-12-25)23(40)41)22(26)8-1-17-15-18(2-7-21(17)26)27(32,28(33,34)35)29(36,37)38/h2-7,15-16,22H,1,8-14H2,(H,40,41)/t16-,22-,25+,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509336(CHEMBL4458283)
Show SMILES Cc1cccc(c1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C30H30F7NO5S/c1-17-3-2-4-22(15-17)44(42,43)27-13-14-38(25(39)18-5-7-19(8-6-18)26(40)41)24(27)12-9-20-16-21(10-11-23(20)27)28(31,29(32,33)34)30(35,36)37/h2-4,10-11,15-16,18-19,24H,5-9,12-14H2,1H3,(H,40,41)/t18-,19-,24-,27-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509341(CHEMBL4465091)
Show SMILES OC(=O)[C@H]1CC[C@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F8NO5S/c30-20-7-9-21(10-8-20)44(42,43)26-13-14-38(24(39)16-1-3-17(4-2-16)25(40)41)23(26)12-5-18-15-19(6-11-22(18)26)27(31,28(32,33)34)29(35,36)37/h6-11,15-17,23H,1-5,12-14H2,(H,40,41)/t16-,17+,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509338(CHEMBL4457990)
Show SMILES CCCN1C[C@H]2N(CC[C@]2(c2ccc(cc12)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C31H32F8N2O5S/c1-2-14-40-17-25-28(47(45,46)22-10-8-21(32)9-11-22,13-15-41(25)26(42)18-3-5-19(6-4-18)27(43)44)23-12-7-20(16-24(23)40)29(33,30(34,35)36)31(37,38)39/h7-12,16,18-19,25H,2-6,13-15,17H2,1H3,(H,43,44)/t18-,19-,25-,28-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382355(US10273259, Example 68 | US10711020, Example 68)
Show SMILES C[C@@]1(CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C30H29F8NO5S/c1-26(25(41)42)12-10-17(11-13-26)24(40)39-15-14-27(45(43,44)21-6-4-20(31)5-7-21)22-8-3-19(16-18(22)2-9-23(27)39)28(32,29(33,34)35)30(36,37)38/h3-8,16-17,23H,2,9-15H2,1H3,(H,41,42)/t17-,23-,26-,27-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382356(US10273259, Example 69 | US10711020, Example 69)
Show SMILES OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F8NO6S2/c28-18-3-5-19(6-4-18)44(41,42)24-9-12-36(22(37)23(38)10-13-43(39,40)14-11-23)21(24)8-1-16-15-17(2-7-20(16)24)25(29,26(30,31)32)27(33,34)35/h2-7,15,21,38H,1,8-14H2/t21-,24-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509327(CHEMBL4464711)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CNc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H26F8N2O5S/c29-18-6-8-19(9-7-18)44(42,43)25-11-12-38(23(39)15-1-3-16(4-2-15)24(40)41)22(25)14-37-21-13-17(5-10-20(21)25)26(30,27(31,32)33)28(34,35)36/h5-10,13,15-16,22,37H,1-4,11-12,14H2,(H,40,41)/t15-,16-,22-,25-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509334(CHEMBL4436417)
Show SMILES OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CNc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H24F8N2O6S2/c27-16-2-4-17(5-3-16)44(41,42)23-7-10-36(21(37)22(38)8-11-43(39,40)12-9-22)20(23)14-35-19-13-15(1-6-18(19)23)24(28,25(29,30)31)26(32,33)34/h1-6,13,20,35,38H,7-12,14H2/t20-,23-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509335(CHEMBL4579028)
Show SMILES CN1C[C@H]2N(CC[C@]2(c2ccc(cc12)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C29H28F8N2O5S/c1-38-15-23-26(45(43,44)20-9-7-19(30)8-10-20,12-13-39(23)24(40)16-2-4-17(5-3-16)25(41)42)21-11-6-18(14-22(21)38)27(31,28(32,33)34)29(35,36)37/h6-11,14,16-17,23H,2-5,12-13,15H2,1H3,(H,41,42)/t16-,17-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509331(CHEMBL4527625)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1COc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H25F8NO6S/c29-18-6-8-19(9-7-18)44(41,42)25-11-12-37(23(38)15-1-3-16(4-2-15)24(39)40)22(25)14-43-21-13-17(5-10-20(21)25)26(30,27(31,32)33)28(34,35)36/h5-10,13,15-16,22H,1-4,11-12,14H2,(H,39,40)/t15-,16-,22-,25-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382355(US10273259, Example 68 | US10711020, Example 68)
Show SMILES C[C@@]1(CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C30H29F8NO5S/c1-26(25(41)42)12-10-17(11-13-26)24(40)39-15-14-27(45(43,44)21-6-4-20(31)5-7-21)22-8-3-19(16-18(22)2-9-23(27)39)28(32,29(33,34)35)30(36,37)38/h3-8,16-17,23H,2,9-15H2,1H3,(H,41,42)/t17-,23-,26-,27-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382201(US10273259, Example 13 | US10711020, Example 13)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28F8N2O4S/c1-17(40)38-13-10-18(11-14-38)25(41)39-15-12-26(44(42,43)22-6-4-21(30)5-7-22)23-8-3-20(16-19(23)2-9-24(26)39)27(31,28(32,33)34)29(35,36)37/h3-8,16,18,24H,2,9-15H2,1H3/t24-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F8NO5S/c30-20-7-9-21(10-8-20)44(42,43)26-13-14-38(24(39)16-1-3-17(4-2-16)25(40)41)23(26)12-5-18-15-19(6-11-22(18)26)27(31,28(32,33)34)29(35,36)37/h6-11,15-17,23H,1-5,12-14H2,(H,40,41)/t16-,17-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509340(CHEMBL4475601)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C29H27ClF7NO5S/c30-20-2-1-3-21(15-20)44(42,43)26-12-13-38(24(39)16-4-6-17(7-5-16)25(40)41)23(26)11-8-18-14-19(9-10-22(18)26)27(31,28(32,33)34)29(35,36)37/h1-3,9-10,14-17,23H,4-8,11-13H2,(H,40,41)/t16-,17-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382357(US10273259, Example 70 | US10711020, Example 70)
Show SMILES OC(=O)[C@H]1CC[C@@](O)(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F8NO6S/c30-19-3-5-20(6-4-19)45(43,44)26-13-14-38(24(41)25(42)11-9-16(10-12-25)23(39)40)22(26)8-1-17-15-18(2-7-21(17)26)27(31,28(32,33)34)29(35,36)37/h2-7,15-16,22,42H,1,8-14H2,(H,39,40)/t16-,22-,25+,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382181((1S,4s)-4-fluoro-4-((3aR,9bR)-9b-((4-fluorophenyl)...)
Show SMILES OC(=O)[C@H]1CC[C@@](F)(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H26F9NO5S/c30-19-3-5-20(6-4-19)45(43,44)26-13-14-39(24(42)25(31)11-9-16(10-12-25)23(40)41)22(26)8-1-17-15-18(2-7-21(17)26)27(32,28(33,34)35)29(36,37)38/h2-7,15-16,22H,1,8-14H2,(H,40,41)/t16-,22-,25+,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382181((1S,4s)-4-fluoro-4-((3aR,9bR)-9b-((4-fluorophenyl)...)
Show SMILES OC(=O)[C@H]1CC[C@@](F)(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H26F9NO5S/c30-19-3-5-20(6-4-19)45(43,44)26-13-14-39(24(42)25(31)11-9-16(10-12-25)23(40)41)22(26)8-1-17-15-18(2-7-21(17)26)27(32,28(33,34)35)29(36,37)38/h2-7,15-16,22H,1,8-14H2,(H,40,41)/t16-,22-,25+,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382280(US10273259, Example 49 | US10711020, Example 49)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H28F7NO5S/c30-27(28(31,32)33,29(34,35)36)20-11-12-22-19(16-20)10-13-23-26(22,43(41,42)21-4-2-1-3-5-21)14-15-37(23)24(38)17-6-8-18(9-7-17)25(39)40/h1-5,11-12,16-18,23H,6-10,13-15H2,(H,39,40)/t17-,18-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509331(CHEMBL4527625)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1COc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H25F8NO6S/c29-18-6-8-19(9-7-18)44(41,42)25-11-12-37(23(38)15-1-3-16(4-2-15)24(39)40)22(25)14-43-21-13-17(5-10-20(21)25)26(30,27(31,32)33)28(34,35)36/h5-10,13,15-16,22H,1-4,11-12,14H2,(H,39,40)/t15-,16-,22-,25-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509336(CHEMBL4458283)
Show SMILES Cc1cccc(c1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C30H30F7NO5S/c1-17-3-2-4-22(15-17)44(42,43)27-13-14-38(25(39)18-5-7-19(8-6-18)26(40)41)24(27)12-9-20-16-21(10-11-23(20)27)28(31,29(32,33)34)30(35,36)37/h2-4,10-11,15-16,18-19,24H,5-9,12-14H2,1H3,(H,40,41)/t18-,19-,24-,27-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382702(US10273259, Example 411 | US10711020, Example 411)
Show SMILES OC(=O)C12CC(C1)(C2)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F8NO5S/c29-17-3-5-18(6-4-17)43(41,42)25-9-10-37(21(38)23-12-24(13-23,14-23)22(39)40)20(25)8-1-15-11-16(2-7-19(15)25)26(30,27(31,32)33)28(34,35)36/h2-7,11,20H,1,8-10,12-14H2,(H,39,40)/t20-,23?,24?,25-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509333(CHEMBL4566371)
Show SMILES CN1C[C@H]2N(CC[C@]2(c2ccc(cc12)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)C1(O)CCS(=O)(=O)CC1
Show InChI InChI=1S/C27H26F8N2O6S2/c1-36-15-21-24(45(42,43)18-5-3-17(28)4-6-18,8-11-37(21)22(38)23(39)9-12-44(40,41)13-10-23)19-7-2-16(14-20(19)36)25(29,26(30,31)32)27(33,34)35/h2-7,14,21,39H,8-13,15H2,1H3/t21-,24-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509335(CHEMBL4579028)
Show SMILES CN1C[C@H]2N(CC[C@]2(c2ccc(cc12)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C29H28F8N2O5S/c1-38-15-23-26(45(43,44)20-9-7-19(30)8-10-20,12-13-39(23)24(40)16-2-4-17(5-3-16)25(41)42)21-11-6-18(14-22(21)38)27(31,28(32,33)34)29(35,36)37/h6-11,14,16-17,23H,2-5,12-13,15H2,1H3,(H,41,42)/t16-,17-,23-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382355(US10273259, Example 68 | US10711020, Example 68)
Show SMILES C[C@@]1(CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C30H29F8NO5S/c1-26(25(41)42)12-10-17(11-13-26)24(40)39-15-14-27(45(43,44)21-6-4-20(31)5-7-21)22-8-3-19(16-18(22)2-9-23(27)39)28(32,29(33,34)35)30(36,37)38/h3-8,16-17,23H,2,9-15H2,1H3,(H,41,42)/t17-,23-,26-,27-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382201(US10273259, Example 13 | US10711020, Example 13)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28F8N2O4S/c1-17(40)38-13-10-18(11-14-38)25(41)39-15-12-26(44(42,43)22-6-4-21(30)5-7-22)23-8-3-20(16-19(23)2-9-24(26)39)27(31,28(32,33)34)29(35,36)37/h3-8,16,18,24H,2,9-15H2,1H3/t24-,26-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382355(US10273259, Example 68 | US10711020, Example 68)
Show SMILES C[C@@]1(CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C30H29F8NO5S/c1-26(25(41)42)12-10-17(11-13-26)24(40)39-15-14-27(45(43,44)21-6-4-20(31)5-7-21)22-8-3-19(16-18(22)2-9-23(27)39)28(32,29(33,34)35)30(36,37)38/h3-8,16-17,23H,2,9-15H2,1H3,(H,41,42)/t17-,23-,26-,27-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50509333(CHEMBL4566371)
Show SMILES CN1C[C@H]2N(CC[C@]2(c2ccc(cc12)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)C1(O)CCS(=O)(=O)CC1
Show InChI InChI=1S/C27H26F8N2O6S2/c1-36-15-21-24(45(42,43)18-5-3-17(28)4-6-18,8-11-37(21)22(38)23(39)9-12-44(40,41)13-10-23)19-7-2-16(14-20(19)36)25(29,26(30,31)32)27(33,34)35/h2-7,14,21,39H,8-13,15H2,1H3/t21-,24-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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