Compile Data Set for Download or QSAR

PubMed code 27524313

Found 33 hits of Enzyme Inhibition Constant Data   

TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536794(CHEMBL4573492)
Show SMILES C[C@H]1COC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30FN3O4S/c1-18-16-32-17-24(20-6-4-3-5-7-20)33(30,31)28(18)15-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536796(CHEMBL4560046)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN2CCCC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C24H30FN3O3S/c1-19(29)26-13-15-27(16-14-26)22-11-10-21(23(25)17-22)18-28-12-6-5-9-24(32(28,30)31)20-7-3-2-4-8-20/h2-4,7-8,10-11,17,24H,5-6,9,12-16,18H2,1H3/t24-/m1/s1
Affinity DataEC50:  25nMAssay Description:Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536800(CHEMBL4574964)
Show SMILES C[C@H]1CC[C@H](c2ccncc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H29FN4O3S/c1-17-3-6-23(19-7-9-25-10-8-19)32(30,31)28(17)16-20-4-5-21(15-22(20)24)27-13-11-26(12-14-27)18(2)29/h4-5,7-10,15,17,23H,3,6,11-14,16H2,1-2H3/t17-,23+/m0/s1
Affinity DataEC50:  410nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536805(CHEMBL4572830)
Show SMILES C[C@@H]1CN(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S(=O)(=O)[C@H](CO1)c1ccccc1
Show InChI InChI=1S/C24H30FN3O4S/c1-18-15-28(33(30,31)24(17-32-18)20-6-4-3-5-7-20)16-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24-/m1/s1
Affinity DataEC50:  21nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536793(CHEMBL4537920)
Show SMILES C[C@H]1CC[C@H](c2ccccn2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H29FN4O3S/c1-17-6-9-23(22-5-3-4-10-25-22)32(30,31)28(17)16-19-7-8-20(15-21(19)24)27-13-11-26(12-14-27)18(2)29/h3-5,7-8,10,15,17,23H,6,9,11-14,16H2,1-2H3/t17-,23+/m0/s1
Affinity DataEC50:  120nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536795(CHEMBL4522912)
Show SMILES C[C@H]1CN(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S(=O)(=O)[C@H](CO1)c1ccccc1
Show InChI InChI=1S/C24H30FN3O4S/c1-18-15-28(33(30,31)24(17-32-18)20-6-4-3-5-7-20)16-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536801(CHEMBL4586831)
Show SMILES C[C@H]1CC[C@H](c2cccc(Cl)c2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H29ClFN3O3S/c1-17-6-9-24(19-4-3-5-21(25)14-19)33(31,32)29(17)16-20-7-8-22(15-23(20)26)28-12-10-27(11-13-28)18(2)30/h3-5,7-8,14-15,17,24H,6,9-13,16H2,1-2H3/t17-,24+/m0/s1
Affinity DataEC50:  7nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536803(CHEMBL4547236)
Show SMILES COc1ccccc1[C@H]1CC[C@H](C)N(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S1(=O)=O
Show InChI InChI=1S/C25H32FN3O4S/c1-18-8-11-25(22-6-4-5-7-24(22)33-3)34(31,32)29(18)17-20-9-10-21(16-23(20)26)28-14-12-27(13-15-28)19(2)30/h4-7,9-10,16,18,25H,8,11-15,17H2,1-3H3/t18-,25+/m0/s1
Affinity DataEC50:  94nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536808(CHEMBL4551326)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN2CCOC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C23H28FN3O4S/c1-18(28)25-9-11-26(12-10-25)21-8-7-20(22(24)15-21)16-27-13-14-31-17-23(32(27,29)30)19-5-3-2-4-6-19/h2-8,15,23H,9-14,16-17H2,1H3/t23-/m1/s1
Affinity DataEC50:  31nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536791(CHEMBL4579711)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30FN3O3S/c1-18-8-11-24(20-6-4-3-5-7-20)32(30,31)28(18)17-21-9-10-22(16-23(21)25)27-14-12-26(13-15-27)19(2)29/h3-7,9-10,16,18,24H,8,11-15,17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50:  47nMAssay Description:Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536795(CHEMBL4522912)
Show SMILES C[C@H]1CN(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S(=O)(=O)[C@H](CO1)c1ccccc1
Show InChI InChI=1S/C24H30FN3O4S/c1-18-15-28(33(30,31)24(17-32-18)20-6-4-3-5-7-20)16-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50:  3nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536797(CHEMBL4573658)
Show SMILES C[C@@H]1COC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30FN3O4S/c1-18-16-32-17-24(20-6-4-3-5-7-20)33(30,31)28(18)15-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24-/m1/s1
Affinity DataEC50:  73nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536799(CHEMBL4524658)
Show SMILES C[C@H]1CC[C@H](c2ccsc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H28FN3O3S2/c1-16-3-6-22(19-7-12-30-15-19)31(28,29)26(16)14-18-4-5-20(13-21(18)23)25-10-8-24(9-11-25)17(2)27/h4-5,7,12-13,15-16,22H,3,6,8-11,14H2,1-2H3/t16-,22+/m0/s1
Affinity DataEC50:  13nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536796(CHEMBL4560046)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN2CCCC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C24H30FN3O3S/c1-19(29)26-13-15-27(16-14-26)22-11-10-21(23(25)17-22)18-28-12-6-5-9-24(32(28,30)31)20-7-3-2-4-8-20/h2-4,7-8,10-11,17,24H,5-6,9,12-16,18H2,1H3/t24-/m1/s1
Affinity DataEC50:  6.80E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536806(CHEMBL4561526)
Show SMILES C[C@H]1CC[C@H](c2ncccn2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H28FN5O3S/c1-16-4-7-21(22-24-8-3-9-25-22)32(30,31)28(16)15-18-5-6-19(14-20(18)23)27-12-10-26(11-13-27)17(2)29/h3,5-6,8-9,14,16,21H,4,7,10-13,15H2,1-2H3/t16-,21+/m0/s1
Affinity DataEC50:  410nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536807(CHEMBL4586886)
Show SMILES C[C@H]1CC[C@H](c2ccc(Cl)cc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H29ClFN3O3S/c1-17-3-10-24(19-4-7-21(25)8-5-19)33(31,32)29(17)16-20-6-9-22(15-23(20)26)28-13-11-27(12-14-28)18(2)30/h4-9,15,17,24H,3,10-14,16H2,1-2H3/t17-,24+/m0/s1
Affinity DataEC50:  34nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536809(CHEMBL4544871)
Show SMILES C[C@H]1CC[C@H](c2cccnc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H29FN4O3S/c1-17-5-8-23(19-4-3-9-25-15-19)32(30,31)28(17)16-20-6-7-21(14-22(20)24)27-12-10-26(11-13-27)18(2)29/h3-4,6-7,9,14-15,17,23H,5,8,10-13,16H2,1-2H3/t17-,23+/m0/s1
Affinity DataEC50:  820nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536810(CHEMBL4530793)
Show SMILES C[C@H]1CC[C@H](c2ccccc2Cl)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H29ClFN3O3S/c1-17-7-10-24(21-5-3-4-6-22(21)25)33(31,32)29(17)16-19-8-9-20(15-23(19)26)28-13-11-27(12-14-28)18(2)30/h3-6,8-9,15,17,24H,7,10-14,16H2,1-2H3/t17-,24+/m0/s1
Affinity DataEC50:  230nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536796(CHEMBL4560046)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN2CCCC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C24H30FN3O3S/c1-19(29)26-13-15-27(16-14-26)22-11-10-21(23(25)17-22)18-28-12-6-5-9-24(32(28,30)31)20-7-3-2-4-8-20/h2-4,7-8,10-11,17,24H,5-6,9,12-16,18H2,1H3/t24-/m1/s1
Affinity DataEC50:  6.80E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536794(CHEMBL4573492)
Show SMILES C[C@H]1COC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30FN3O4S/c1-18-16-32-17-24(20-6-4-3-5-7-20)33(30,31)28(18)15-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536795(CHEMBL4522912)
Show SMILES C[C@H]1CN(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S(=O)(=O)[C@H](CO1)c1ccccc1
Show InChI InChI=1S/C24H30FN3O4S/c1-18-15-28(33(30,31)24(17-32-18)20-6-4-3-5-7-20)16-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50:  22nMAssay Description:Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536802(CHEMBL4560678)
Show SMILES COc1ccc(cc1)[C@H]1CC[C@H](C)N(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S1(=O)=O
Show InChI InChI=1S/C25H32FN3O4S/c1-18-4-11-25(20-6-9-23(33-3)10-7-20)34(31,32)29(18)17-21-5-8-22(16-24(21)26)28-14-12-27(13-15-28)19(2)30/h5-10,16,18,25H,4,11-15,17H2,1-3H3/t18-,25+/m0/s1
Affinity DataEC50:  28nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536804(CHEMBL4575488)
Show SMILES C[C@H]1CC[C@H](c2ccc(cc2)C#N)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H29FN4O3S/c1-18-3-10-25(21-6-4-20(16-27)5-7-21)34(32,33)30(18)17-22-8-9-23(15-24(22)26)29-13-11-28(12-14-29)19(2)31/h4-9,15,18,25H,3,10-14,17H2,1-2H3/t18-,25+/m0/s1
Affinity DataEC50:  3.90E+3nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536791(CHEMBL4579711)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30FN3O3S/c1-18-8-11-24(20-6-4-3-5-7-20)32(30,31)28(18)17-21-9-10-22(16-23(21)25)27-14-12-26(13-15-27)19(2)29/h3-7,9-10,16,18,24H,8,11-15,17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50:  5.40E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536811(CHEMBL4562607)
Show SMILES C[C@H]1CC[C@H](c2ccccc2C#N)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H29FN4O3S/c1-18-7-10-25(23-6-4-3-5-20(23)16-27)34(32,33)30(18)17-21-8-9-22(15-24(21)26)29-13-11-28(12-14-29)19(2)31/h3-6,8-9,15,18,25H,7,10-14,17H2,1-2H3/t18-,25+/m0/s1
Affinity DataEC50:  1.90E+3nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536791(CHEMBL4579711)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30FN3O3S/c1-18-8-11-24(20-6-4-3-5-7-20)32(30,31)28(18)17-21-9-10-22(16-23(21)25)27-14-12-26(13-15-27)19(2)29/h3-7,9-10,16,18,24H,8,11-15,17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50:  5.40E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536792(CHEMBL4527418)
Show SMILES C[C@H]1CC[C@H](c2cccc(c2)C#N)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H29FN4O3S/c1-18-6-9-25(21-5-3-4-20(14-21)16-27)34(32,33)30(18)17-22-7-8-23(15-24(22)26)29-12-10-28(11-13-29)19(2)31/h3-5,7-8,14-15,18,25H,6,9-13,17H2,1-2H3/t18-,25+/m0/s1
Affinity DataEC50:  1.30E+3nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536794(CHEMBL4573492)
Show SMILES C[C@H]1COC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30FN3O4S/c1-18-16-32-17-24(20-6-4-3-5-7-20)33(30,31)28(18)15-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50:  64nMAssay Description:Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536798(CHEMBL4519011)
Show SMILES C[C@H]1CC[C@H](c2cccs2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H28FN3O3S2/c1-16-5-8-22(21-4-3-13-30-21)31(28,29)26(16)15-18-6-7-19(14-20(18)23)25-11-9-24(10-12-25)17(2)27/h3-4,6-7,13-14,16,22H,5,8-12,15H2,1-2H3/t16-,22+/m0/s1
Affinity DataEC50:  2nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536812(CHEMBL4582295)
Show SMILES COc1cccc(c1)[C@H]1CC[C@H](C)N(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S1(=O)=O
Show InChI InChI=1S/C25H32FN3O4S/c1-18-7-10-25(20-5-4-6-23(15-20)33-3)34(31,32)29(18)17-21-8-9-22(16-24(21)26)28-13-11-27(12-14-28)19(2)30/h4-6,8-9,15-16,18,25H,7,10-14,17H2,1-3H3/t18-,25+/m0/s1
Affinity DataEC50:  58nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536794(CHEMBL4573492)
Show SMILES C[C@H]1COC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30FN3O4S/c1-18-16-32-17-24(20-6-4-3-5-7-20)33(30,31)28(18)15-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50:  8nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536796(CHEMBL4560046)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN2CCCC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C24H30FN3O3S/c1-19(29)26-13-15-27(16-14-26)22-11-10-21(23(25)17-22)18-28-12-6-5-9-24(32(28,30)31)20-7-3-2-4-8-20/h2-4,7-8,10-11,17,24H,5-6,9,12-16,18H2,1H3/t24-/m1/s1
Affinity DataEC50:  6nMAssay Description:Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536795(CHEMBL4522912)
Show SMILES C[C@H]1CN(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S(=O)(=O)[C@H](CO1)c1ccccc1
Show InChI InChI=1S/C24H30FN3O4S/c1-18-15-28(33(30,31)24(17-32-18)20-6-4-3-5-7-20)16-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
* indicates data uncertainty>20%