Compile Data Set for Download or QSAR
Found 69 Enz. Inhib. hit(s) with all data for entry = 50007549
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM220233(US9290476, 77A | US9290476, 77B | US9290476, 77C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C29H25ClF3N5O2/c1-16-5-11-23(17(2)35-16)28(39,25-15-34-37-38(25)3)20-10-12-24-21(14-20)26(30)22(27(36-24)40-4)13-18-6-8-19(9-7-18)29(31,32)33/h5-12,14-15,39H,13H2,1-4H3
Affinity DataIC50: 3.30nMAssay Description:Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM220233(US9290476, 77A | US9290476, 77B | US9290476, 77C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C29H25ClF3N5O2/c1-16-5-11-23(17(2)35-16)28(39,25-15-34-37-38(25)3)20-10-12-24-21(14-20)26(30)22(27(36-24)40-4)13-18-6-8-19(9-7-18)29(31,32)33/h5-12,14-15,39H,13H2,1-4H3
Affinity DataIC50: 3.90nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510354(CHEMBL4441287)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1cc(C)nc(C)c1
Show InChI InChI=1S/C28H30ClF3N6O2/c1-16-11-20(12-17(2)34-16)27(39,24-14-33-36-37(24)3)19-5-6-23-21(13-19)25(29)22(26(35-23)40-4)15-38-9-7-18(8-10-38)28(30,31)32/h5-6,11-14,18,39H,7-10,15H2,1-4H3
Affinity DataIC50: 5.10nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510357(CHEMBL4543938)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C27H25ClF6N6O2/c1-39-22(13-36-38-39)25(41,17-5-8-35-21(12-17)27(32,33)34)16-3-4-20-18(11-16)23(28)19(24(37-20)42-2)14-40-9-6-15(7-10-40)26(29,30)31/h3-5,8,11-13,15,41H,6-7,9-10,14H2,1-2H3
Affinity DataIC50: 8nMAssay Description:Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510349(CHEMBL4434891)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C24H26ClN5O3/c1-13(2)33-22-21(25)17-11-16(8-10-19(17)28-23(22)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4/h7-13,31H,1-6H3
Affinity DataIC50: 10nMAssay Description:Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510355(CHEMBL4552142)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-5-8-37-22(12-18)28(33,34)35)17-3-4-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-6-16(7-10-40)27(30,31)32/h3-5,8,11-13,15-16,41H,6-7,9-10,14H2,1-2H3
Affinity DataIC50: 12nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510352(CHEMBL4468588)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3
Affinity DataIC50: 12nMAssay Description:Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510357(CHEMBL4543938)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C27H25ClF6N6O2/c1-39-22(13-36-38-39)25(41,17-5-8-35-21(12-17)27(32,33)34)16-3-4-20-18(11-16)23(28)19(24(37-20)42-2)14-40-9-6-15(7-10-40)26(29,30)31/h3-5,8,11-13,15,41H,6-7,9-10,14H2,1-2H3
Affinity DataIC50: 12nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339252(US10201546, Example 126b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnc(C)n1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28ClF6N5O2/c1-16-38-14-24(40(16)2)27(42,19-6-9-37-23(13-19)29(34,35)36)18-4-5-22-20(12-18)25(30)21(26(39-22)43-3)15-41-10-7-17(8-11-41)28(31,32)33/h4-6,9,12-14,17,42H,7-8,10-11,15H2,1-3H3/t27-/m0/s1
Affinity DataIC50: 14nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339276(US10201546, Example 136a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H28ClN5O2/c1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17/h9-14,17,33H,5-8H2,1-4H3
Affinity DataIC50: 14nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339227(US10201546, Example 112c | US10201546, Example 191...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1
Affinity DataIC50: 17nMAssay Description:Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510352(CHEMBL4468588)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3
Affinity DataIC50: 18nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339216((4-Chloro-3-((4,4-difluoropiperidin-1-yl)methyl)-2...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(F)(F)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C27H29ClF2N6O2/c1-16-5-7-21(17(2)32-16)27(37,23-14-31-34-35(23)3)18-6-8-22-19(13-18)24(28)20(25(33-22)38-4)15-36-11-9-26(29,30)10-12-36/h5-8,13-14,37H,9-12,15H2,1-4H3
Affinity DataIC50: 19nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339134(US10201546, Example 68a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H26ClN5O3/c1-14-5-9-19(15(2)28-14)25(32,21-12-27-30-31(21)3)17-8-10-20-18(11-17)22(26)23(24(29-20)33-4)34-13-16-6-7-16/h5,8-12,16,32H,6-7,13H2,1-4H3
Affinity DataIC50: 20nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339207(US10201546, Example 103a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C28H30ClF3N6O2/c1-16-5-7-22(17(2)34-16)27(39,24-14-33-36-37(24)3)19-6-8-23-20(13-19)25(29)21(26(35-23)40-4)15-38-11-9-18(10-12-38)28(30,31)32/h5-8,13-14,18,39H,9-12,15H2,1-4H3
Affinity DataIC50: 22nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510356(CHEMBL4584135)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CCOCC1)c1cnc(C)n1C
Show InChI InChI=1S/C28H34ClF3N4O3/c1-17-33-15-24(35(17)2)27(37,18-8-12-39-13-9-18)20-4-5-23-21(14-20)25(29)22(26(34-23)38-3)16-36-10-6-19(7-11-36)28(30,31)32/h4-5,14-15,18-19,37H,6-13,16H2,1-3H3
Affinity DataIC50: 25nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510349(CHEMBL4434891)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C24H26ClN5O3/c1-13(2)33-22-21(25)17-11-16(8-10-19(17)28-23(22)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4/h7-13,31H,1-6H3
Affinity DataIC50: 29nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339054(US10201546, Example 14a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H26ClN5O2/c1-14-5-9-20(15(2)28-14)25(32,22-13-27-30-31(22)3)17-8-10-21-18(12-17)23(26)19(11-16-6-7-16)24(29-21)33-4/h5,8-10,12-13,16,32H,6-7,11H2,1-4H3
Affinity DataIC50: 30nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339144(US10201546, Example 72a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H24ClF2N5O3/c1-13-5-7-18(14(2)30-13)25(34,20-11-29-32-33(20)3)15-6-8-19-17(9-15)21(26)22(23(31-19)35-4)36-12-16-10-24(16,27)28/h5-9,11,16,34H,10,12H2,1-4H3
Affinity DataIC50: 33nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510350(CHEMBL4438967)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CC(C1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H26ClF3N6O2/c1-14-5-7-20(15(2)32-14)25(37,22-10-31-34-35(22)3)16-6-8-21-18(9-16)23(27)19(24(33-21)38-4)13-36-11-17(12-36)26(28,29)30/h5-10,17,37H,11-13H2,1-4H3
Affinity DataIC50: 41nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510347(CHEMBL4475244)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C23H21ClF3N5O2/c1-12-5-7-17(13(2)29-12)23(33,19-11-28-31-32(19)3)14-6-8-18-15(9-14)20(24)16(10-22(25,26)27)21(30-18)34-4/h5-9,11,33H,10H2,1-4H3
Affinity DataIC50: 45nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510343(CHEMBL4532727)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF6N4O3/c1-16(41)40-13-20(14-40)27(42,19-4-6-24(37-12-19)29(34,35)36)18-3-5-23-21(11-18)25(30)22(26(38-23)43-2)15-39-9-7-17(8-10-39)28(31,32)33/h3-6,11-12,17,20,42H,7-10,13-15H2,1-2H3
Affinity DataIC50: 50nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339227(US10201546, Example 112c | US10201546, Example 191...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1
Affinity DataIC50: 61nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM220190(US9290476, 33A | US9290476, 33B | US9290476, 33C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3
Affinity DataIC50: 95nMAssay Description:Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510346(CHEMBL4575356)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C28H32ClF3N6O2/c1-16-33-13-23(36(16)3)27(39,24-14-34-17(2)37(24)4)19-6-7-22-20(12-19)25(29)21(26(35-22)40-5)15-38-10-8-18(9-11-38)28(30,31)32/h6-7,12-14,18,39H,8-11,15H2,1-5H3
Affinity DataIC50: 116nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510346(CHEMBL4575356)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C28H32ClF3N6O2/c1-16-33-13-23(36(16)3)27(39,24-14-34-17(2)37(24)4)19-6-7-22-20(12-19)25(29)21(26(35-22)40-5)15-38-10-8-18(9-11-38)28(30,31)32/h6-7,12-14,18,39H,8-11,15H2,1-5H3
Affinity DataIC50: 121nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510344(CHEMBL4555910)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)n1cccn1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C30H33ClN8O2/c1-19-6-8-25(20(2)34-19)30(40,27-17-32-36-37(27)3)21-7-9-26-23(16-21)28(31)24(29(35-26)41-4)18-38-14-10-22(11-15-38)39-13-5-12-33-39/h5-9,12-13,16-17,22,40H,10-11,14-15,18H2,1-4H3
Affinity DataIC50: 122nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510345(CHEMBL4517932)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnnn1C
Show InChI InChI=1S/C26H30ClF3N6O3/c1-15(37)36-12-18(13-36)25(38,22-11-31-33-34(22)2)17-4-5-21-19(10-17)23(27)20(24(32-21)39-3)14-35-8-6-16(7-9-35)26(28,29)30/h4-5,10-11,16,18,38H,6-9,12-14H2,1-3H3
Affinity DataIC50: 166nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339137(US10201546, Example 69a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC1CCOCC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H28ClN5O4/c1-15-5-7-20(16(2)29-15)26(33,22-14-28-31-32(22)3)17-6-8-21-19(13-17)23(27)24(25(30-21)34-4)36-18-9-11-35-12-10-18/h5-8,13-14,18,33H,9-12H2,1-4H3
Affinity DataIC50: 193nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510359(CHEMBL4466031)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CCS(=O)(=O)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C27H30ClN5O4S/c1-16-5-7-22(17(2)30-16)27(34,24-15-29-32-33(24)3)19-6-8-23-20(14-19)25(28)21(26(31-23)37-4)13-18-9-11-38(35,36)12-10-18/h5-8,14-15,18,34H,9-13H2,1-4H3
Affinity DataIC50: 280nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510358(CHEMBL4459199)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnc(C)n1C
Show InChI InChI=1S/C28H33ClF3N5O3/c1-16-33-12-24(35(16)3)27(39,20-13-37(14-20)17(2)38)19-5-6-23-21(11-19)25(29)22(26(34-23)40-4)15-36-9-7-18(8-10-36)28(30,31)32/h5-6,11-12,18,20,39H,7-10,13-15H2,1-4H3
Affinity DataIC50: 313nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339048(US10201546, Example 12a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C22H22ClN5O2/c1-12-6-8-17(14(3)25-12)22(29,19-11-24-27-28(19)4)15-7-9-18-16(10-15)20(23)13(2)21(26-18)30-5/h6-11,29H,1-5H3
Affinity DataIC50: 327nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339166(US10201546, Example 83)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C(=O)N1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C28H28ClF3N6O3/c1-15-5-7-20(16(2)34-15)27(40,22-14-33-36-37(22)3)18-6-8-21-19(13-18)24(29)23(25(35-21)41-4)26(39)38-11-9-17(10-12-38)28(30,31)32/h5-8,13-14,17,40H,9-12H2,1-4H3
Affinity DataIC50: 386nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339267(US10201546, Example 133a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H28ClN5O2/c1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4/h7-10,12-14,32H,11H2,1-6H3
Affinity DataIC50: 844nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510348(CHEMBL4442831)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CCC(F)(F)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C28H30ClF2N5O2/c1-16-5-7-22(17(2)33-16)28(37,24-15-32-35-36(24)3)19-6-8-23-20(14-19)25(29)21(26(34-23)38-4)13-18-9-11-27(30,31)12-10-18/h5-8,14-15,18,37H,9-13H2,1-4H3
Affinity DataIC50: 2.00E+3nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510351(CHEMBL4571921)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(F)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C27H30ClFN6O2/c1-16-5-7-22(17(2)31-16)27(36,24-14-30-33-34(24)3)18-6-8-23-20(13-18)25(28)21(26(32-23)37-4)15-35-11-9-19(29)10-12-35/h5-8,13-14,19,36H,9-12,15H2,1-4H3
Affinity DataIC50: 6.00E+3nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339276(US10201546, Example 136a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H28ClN5O2/c1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17/h9-14,17,33H,5-8H2,1-4H3
Affinity DataKd:  1.40nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339144(US10201546, Example 72a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H24ClF2N5O3/c1-13-5-7-18(14(2)30-13)25(34,20-11-29-32-33(20)3)15-6-8-19-17(9-15)21(26)22(23(31-19)35-4)36-12-16-10-24(16,27)28/h5-9,11,16,34H,10,12H2,1-4H3
Affinity DataKd:  8.20nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510353(CHEMBL4589288)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCc1nccs1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H23ClN6O3S/c1-14-5-7-18(15(2)29-14)25(33,20-12-28-31-32(20)3)16-6-8-19-17(11-16)22(26)23(24(30-19)34-4)35-13-21-27-9-10-36-21/h5-12,33H,13H2,1-4H3
Affinity DataKd:  31nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339137(US10201546, Example 69a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC1CCOCC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H28ClN5O4/c1-15-5-7-20(16(2)29-15)26(33,22-14-28-31-32(22)3)17-6-8-21-19(13-17)23(27)24(25(30-21)34-4)36-18-9-11-35-12-10-18/h5-8,13-14,18,33H,9-12H2,1-4H3
Affinity DataKd:  14nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510350(CHEMBL4438967)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CC(C1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H26ClF3N6O2/c1-14-5-7-20(15(2)32-14)25(37,22-10-31-34-35(22)3)16-6-8-21-18(9-16)23(27)19(24(33-21)38-4)13-36-11-17(12-36)26(28,29)30/h5-10,17,37H,11-13H2,1-4H3
Affinity DataKd:  3.90nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510351(CHEMBL4571921)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(F)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C27H30ClFN6O2/c1-16-5-7-22(17(2)31-16)27(36,24-14-30-33-34(24)3)18-6-8-23-20(13-18)25(28)21(26(32-23)37-4)15-35-11-9-19(29)10-12-35/h5-8,13-14,19,36H,9-12,15H2,1-4H3
Affinity DataKd:  46nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM339166(US10201546, Example 83)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C(=O)N1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C28H28ClF3N6O3/c1-15-5-7-20(16(2)34-15)27(40,22-14-33-36-37(22)3)18-6-8-21-19(13-18)24(29)23(25(35-21)41-4)26(39)38-11-9-17(10-12-38)28(30,31)32/h5-8,13-14,17,40H,9-12H2,1-4H3
Affinity DataKd:  357nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510354(CHEMBL4441287)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1cc(C)nc(C)c1
Show InChI InChI=1S/C28H30ClF3N6O2/c1-16-11-20(12-17(2)34-16)27(39,24-14-33-36-37(24)3)19-5-6-23-21(13-19)25(29)22(26(35-23)40-4)15-38-9-7-18(8-10-38)28(30,31)32/h5-6,11-14,18,39H,7-10,15H2,1-4H3
Affinity DataKd:  0.0200nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510352(CHEMBL4468588)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3
Affinity DataKd:  2.30nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510355(CHEMBL4552142)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-5-8-37-22(12-18)28(33,34)35)17-3-4-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-6-16(7-10-40)27(30,31)32/h3-5,8,11-13,15-16,41H,6-7,9-10,14H2,1-2H3
Affinity DataKd:  0.300nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510343(CHEMBL4532727)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF6N4O3/c1-16(41)40-13-20(14-40)27(42,19-4-6-24(37-12-19)29(34,35)36)18-3-5-23-21(11-18)25(30)22(26(38-23)43-2)15-39-9-7-17(8-10-39)28(31,32)33/h3-6,11-12,17,20,42H,7-10,13-15H2,1-2H3
Affinity DataKd:  3.30nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510356(CHEMBL4584135)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CCOCC1)c1cnc(C)n1C
Show InChI InChI=1S/C28H34ClF3N4O3/c1-17-33-15-24(35(17)2)27(37,18-8-12-39-13-9-18)20-4-5-23-21(14-20)25(29)22(26(34-23)38-3)16-36-10-6-19(7-11-36)28(30,31)32/h4-5,14-15,18-19,37H,6-13,16H2,1-3H3
Affinity DataKd:  0.600nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50510346(CHEMBL4575356)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C28H32ClF3N6O2/c1-16-33-13-23(36(16)3)27(39,24-14-34-17(2)37(24)4)19-6-7-22-20(12-19)25(29)21(26(35-22)40-5)15-38-10-8-18(9-11-38)28(30,31)32/h6-7,12-14,18,39H,8-11,15H2,1-5H3
Affinity DataKd:  1.20nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM220233(US9290476, 77A | US9290476, 77B | US9290476, 77C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C29H25ClF3N5O2/c1-16-5-11-23(17(2)35-16)28(39,25-15-34-37-38(25)3)20-10-12-24-21(14-20)26(30)22(27(36-24)40-4)13-18-6-8-19(9-7-18)29(31,32)33/h5-12,14-15,39H,13H2,1-4H3
Affinity DataKd:  0.100nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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