Compile Data Set for Download or QSAR
Found 38 Enz. Inhib. hit(s) with all data for entry = 50010288
TargetCytochrome P450 3A4(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataIC50: 5.00E+4nMAssay Description:Time-dependent inhibition of human CYP3A4 using testosterone as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 2D6(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataIC50: 5.00E+4nMAssay Description:Time-dependent inhibition of human CYP2D6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 2C9(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataIC50: 5.00E+4nMAssay Description:Time-dependent inhibition of human CYP2C9More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 3A4(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataIC50: 5.00E+4nMAssay Description:Time-dependent inhibition of human CYP3A4 using midazolam as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 1A2(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataIC50: 5.00E+4nMAssay Description:Time-dependent inhibition of human CYP1A2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 2C19(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataIC50: 5.00E+4nMAssay Description:Time-dependent inhibition of human CYP2C19More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537149(CHEMBL4532088)
Show SMILES CNC(=O)CCC(CC(=O)Nc1ccc(C)cc1C)c1nnc(CCCC(C)C)n1C1CC1
Show InChI InChI=1S/C26H39N5O2/c1-17(2)7-6-8-23-29-30-26(31(23)21-11-12-21)20(10-14-24(32)27-5)16-25(33)28-22-13-9-18(3)15-19(22)4/h9,13,15,17,20-21H,6-8,10-12,14,16H2,1-5H3,(H,27,32)(H,28,33)
Affinity DataEC50:  6.40E+3nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537150(CHEMBL4514309)
Show SMILES CC(C)Cc1ccc(cc1)-c1onc([C@@H](CCC(O)=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C29H33ClN2O4/c1-17(2)14-19-5-7-21(8-6-19)29-27(20-9-10-20)28(32-36-29)22(11-13-26(34)35)16-25(33)31-24-12-4-18(3)15-23(24)30/h4-8,12,15,17,20,22H,9-11,13-14,16H2,1-3H3,(H,31,33)(H,34,35)/t22-/m0/s1
Affinity DataEC50:  44nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537151(CHEMBL4569071)
Show SMILES [Na+].CC(C)Cc1cnc(o1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H30ClN3O5.Na/c1-14(2)10-18-13-28-26(34-18)25-23(16-5-6-16)24(30-35-25)17(7-9-22(32)33)12-21(31)29-20-8-4-15(3)11-19(20)27;/h4,8,11,13-14,16-17H,5-7,9-10,12H2,1-3H3,(H,29,31)(H,32,33);/q;+1/p-1/t17-;/m0./s1
Affinity DataEC50:  660nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537152(CHEMBL4569327)
Show SMILES [Na+].CC(C)Cc1nc(cs1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H30ClN3O4S.Na/c1-14(2)10-22-29-20(13-35-22)26-24(16-5-6-16)25(30-34-26)17(7-9-23(32)33)12-21(31)28-19-8-4-15(3)11-18(19)27;/h4,8,11,13-14,16-17H,5-7,9-10,12H2,1-3H3,(H,28,31)(H,32,33);/q;+1/p-1/t17-;/m0./s1
Affinity DataEC50:  3.80E+3nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537153(CHEMBL4538711)
Show SMILES [Na+].CC(C)Cc1ncc(s1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H30ClN3O4S.Na/c1-14(2)10-22-28-13-20(35-22)26-24(16-5-6-16)25(30-34-26)17(7-9-23(32)33)12-21(31)29-19-8-4-15(3)11-18(19)27;/h4,8,11,13-14,16-17H,5-7,9-10,12H2,1-3H3,(H,29,31)(H,32,33);/q;+1/p-1/t17-;/m0./s1
Affinity DataEC50:  17nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537154(CHEMBL4581769)
Show SMILES [Na+].CC(C)Cc1nnc(s1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C25H29ClN4O4S.Na/c1-13(2)10-20-28-29-25(35-20)24-22(15-5-6-15)23(30-34-24)16(7-9-21(32)33)12-19(31)27-18-8-4-14(3)11-17(18)26;/h4,8,11,13,15-16H,5-7,9-10,12H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t16-;/m0./s1
Affinity DataEC50:  56nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537155(CHEMBL4577230)
Show SMILES [Na+].CC(C)CC(F)(F)c1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C27H30ClF2N3O5.Na/c1-14(2)13-27(29,30)21-12-20(32-37-21)26-24(16-5-6-16)25(33-38-26)17(7-9-23(35)36)11-22(34)31-19-8-4-15(3)10-18(19)28;/h4,8,10,12,14,16-17H,5-7,9,11,13H2,1-3H3,(H,31,34)(H,35,36);/q;+1/p-1/t17-;/m0./s1
Affinity DataEC50:  8nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataEC50:  9nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537156(CHEMBL4521766)
Show SMILES [Na+].Cc1ccc(NC(=O)C[C@H](CCC([O-])=O)c2noc(-c3cc(on3)C(F)(F)C(C)(C)C)c2C2CC2)c(Cl)c1
Show InChI InChI=1S/C27H30ClF2N3O5.Na/c1-14-5-9-18(17(28)11-14)31-21(34)12-16(8-10-22(35)36)24-23(15-6-7-15)25(38-33-24)19-13-20(37-32-19)27(29,30)26(2,3)4;/h5,9,11,13,15-16H,6-8,10,12H2,1-4H3,(H,31,34)(H,35,36);/q;+1/p-1/t16-;/m0./s1
Affinity DataEC50:  6nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537157(CHEMBL4593726)
Show SMILES [Na+].CC(C)(C)C(F)(F)c1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2F)c1C1CC1
Show InChI InChI=1S/C26H27ClF3N3O5.Na/c1-25(2,3)26(29,30)19-12-18(32-37-19)24-22(13-4-5-13)23(33-38-24)14(6-9-21(35)36)10-20(34)31-17-8-7-15(27)11-16(17)28;/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,31,34)(H,35,36);/q;+1/p-1/t14-;/m0./s1
Affinity DataEC50:  7nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of GAL4-fused human RORalpha transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of GAL4-fused human PPARgamma transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537158(CHEMBL4514578)
Show SMILES CC(C)CCCc1nnc(C(CCN)CC(=O)Nc2ccc(C)cc2C)n1C1CC1
Show InChI InChI=1S/C24H37N5O/c1-16(2)6-5-7-22-27-28-24(29(22)20-9-10-20)19(12-13-25)15-23(30)26-21-11-8-17(3)14-18(21)4/h8,11,14,16,19-20H,5-7,9-10,12-13,15,25H2,1-4H3,(H,26,30)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537159(CHEMBL4542908)
Show SMILES [Na+].CC(C)Cc1nc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C25H29ClN4O5.Na/c1-13(2)10-20-28-25(30-34-20)24-22(15-5-6-15)23(29-35-24)16(7-9-21(32)33)12-19(31)27-18-8-4-14(3)11-17(18)26;/h4,8,11,13,15-16H,5-7,9-10,12H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t16-;/m0./s1
Affinity DataEC50:  62nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of GAL4-fused human PPARdelta transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537160(CHEMBL4539449)
Show SMILES CC(C)CCCc1nnc(C(CCC(N)=O)CC(=O)Nc2ccc(C)cc2C)n1C1CC1
Show InChI InChI=1S/C25H37N5O2/c1-16(2)6-5-7-23-28-29-25(30(23)20-10-11-20)19(9-13-22(26)31)15-24(32)27-21-12-8-17(3)14-18(21)4/h8,12,14,16,19-20H,5-7,9-11,13,15H2,1-4H3,(H2,26,31)(H,27,32)
Affinity DataEC50:  1.60E+4nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537161(CHEMBL4514739)
Show SMILES [Na+].CC(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H30ClN3O5.Na/c1-14(2)10-18-13-21(29-34-18)26-24(16-5-6-16)25(30-35-26)17(7-9-23(32)33)12-22(31)28-20-8-4-15(3)11-19(20)27;/h4,8,11,13-14,16-17H,5-7,9-10,12H2,1-3H3,(H,28,31)(H,32,33);/q;+1/p-1/t17-;/m0./s1
Affinity DataEC50:  14nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537162(CHEMBL4570149)
Show SMILES [Na+].CC(C)C(F)(F)c1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H28ClF2N3O5.Na/c1-13(2)26(28,29)20-12-19(31-36-20)25-23(15-5-6-15)24(32-37-25)16(7-9-22(34)35)11-21(33)30-18-8-4-14(3)10-17(18)27;/h4,8,10,12-13,15-16H,5-7,9,11H2,1-3H3,(H,30,33)(H,34,35);/q;+1/p-1/t16-;/m0./s1
Affinity DataEC50:  7nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537163(CHEMBL4554291)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H14F6N2O5S/c1-2-24(31(29,30)14-9-7-13(8-10-14)25(27)28)12-5-3-11(4-6-12)15(26,16(18,19)20)17(21,22)23/h3-10,26H,2H2,1H3
Affinity DataEC50:  190nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537147(CHEMBL4537625)
Show SMILES [Na+].CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H29Cl2N3O5.Na/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28;/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t15-;/m0./s1
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of GAL4-fused human RXR transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537164(CHEMBL4515215)
Show SMILES CC(C)CCCc1nnc(C(CCNC(C)=O)CC(=O)Nc2ccc(C)cc2C)n1C1CC1
Show InChI InChI=1S/C26H39N5O2/c1-17(2)7-6-8-24-29-30-26(31(24)22-10-11-22)21(13-14-27-20(5)32)16-25(33)28-23-12-9-18(3)15-19(23)4/h9,12,15,17,21-22H,6-8,10-11,13-14,16H2,1-5H3,(H,27,32)(H,28,33)
Affinity DataEC50:  1.10E+4nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537165(CHEMBL4536161)
Show SMILES CC(C)CCCc1nnc(C(CCC(=O)N(C)C)CC(=O)Nc2ccc(C)cc2C)n1C1CC1
Show InChI InChI=1S/C27H41N5O2/c1-18(2)8-7-9-24-29-30-27(32(24)22-12-13-22)21(11-15-26(34)31(5)6)17-25(33)28-23-14-10-19(3)16-20(23)4/h10,14,16,18,21-22H,7-9,11-13,15,17H2,1-6H3,(H,28,33)
Affinity DataEC50:  2.70E+3nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537166(CHEMBL4560329)
Show SMILES [Na+].CC(C)Cc1cnc(s1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H30ClN3O4S.Na/c1-14(2)10-18-13-28-26(35-18)25-23(16-5-6-16)24(30-34-25)17(7-9-22(32)33)12-21(31)29-20-8-4-15(3)11-19(20)27;/h4,8,11,13-14,16-17H,5-7,9-10,12H2,1-3H3,(H,29,31)(H,32,33);/q;+1/p-1/t17-;/m0./s1
Affinity DataEC50:  120nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537167(CHEMBL4550501)
Show SMILES [Na+].CC(C)CCc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C27H32ClN3O5.Na/c1-15(2)4-9-19-14-22(30-35-19)27-25(17-6-7-17)26(31-36-27)18(8-11-24(33)34)13-23(32)29-21-10-5-16(3)12-20(21)28;/h5,10,12,14-15,17-18H,4,6-9,11,13H2,1-3H3,(H,29,32)(H,33,34);/q;+1/p-1/t18-;/m0./s1
Affinity DataEC50:  8nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537168(CHEMBL4541987)
Show SMILES [Na+].CC(C)(C)C(F)(F)c1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(F)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H27ClF3N3O5.Na/c1-25(2,3)26(29,30)19-12-18(32-37-19)24-22(13-4-5-13)23(33-38-24)14(6-9-21(35)36)10-20(34)31-17-8-7-15(28)11-16(17)27;/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,31,34)(H,35,36);/q;+1/p-1/t14-;/m0./s1
Affinity DataEC50:  6nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537148(CHEMBL4544876)
Show SMILES CC(C)CCCc1nnc(C(CCC(O)=O)CC(=O)Nc2ccc(C)cc2C)n1C1CC1
Show InChI InChI=1S/C25H36N4O3/c1-16(2)6-5-7-22-27-28-25(29(22)20-10-11-20)19(9-13-24(31)32)15-23(30)26-21-12-8-17(3)14-18(21)4/h8,12,14,16,19-20H,5-7,9-11,13,15H2,1-4H3,(H,26,30)(H,31,32)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50153652(CHEMBL3774985)
Show SMILES CC(C)CCCc1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1
Show InChI InChI=1S/C22H32N4O/c1-15(2)6-5-7-20-24-25-21(26(20)18-9-10-18)12-13-22(27)23-19-11-8-16(3)14-17(19)4/h8,11,14-15,18H,5-7,9-10,12-13H2,1-4H3,(H,23,27)
Affinity DataEC50:  1.70E+3nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Show SMILES CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CN(C[C@@H]2C(=O)Nc2ccc(C)cc2C)C(C)=O)n1C1CC1
Show InChI InChI=1S/C28H39N5O2/c1-16(2)10-20-12-21(13-20)26-30-31-27(33(26)22-7-8-22)23-14-32(19(5)34)15-24(23)28(35)29-25-9-6-17(3)11-18(25)4/h6,9,11,16,20-24H,7-8,10,12-15H2,1-5H3,(H,29,35)/t20-,21+,23-,24-/m0/s1
Affinity DataEC50:  34nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537146(CHEMBL4574815)
Show SMILES [Na+].Cc1ccc(NC(=O)C[C@H](CCC([O-])=O)c2noc(-c3cc(CC(C)(C)C)on3)c2C2CC2)c(Cl)c1
Show InChI InChI=1S/C27H32ClN3O5.Na/c1-15-5-9-20(19(28)11-15)29-22(32)12-17(8-10-23(33)34)25-24(16-6-7-16)26(36-31-25)21-13-18(35-30-21)14-27(2,3)4;/h5,9,11,13,16-17H,6-8,10,12,14H2,1-4H3,(H,29,32)(H,33,34);/q;+1/p-1/t17-;/m0./s1
Affinity DataEC50:  7nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537169(CHEMBL4529082)
Show SMILES CC(C)CCCc1nnc(C(CCN(C)C)CC(=O)Nc2ccc(C)cc2C)n1C1CC1
Show InChI InChI=1S/C26H41N5O/c1-18(2)8-7-9-24-28-29-26(31(24)22-11-12-22)21(14-15-30(5)6)17-25(32)27-23-13-10-19(3)16-20(23)4/h10,13,16,18,21-22H,7-9,11-12,14-15,17H2,1-6H3,(H,27,32)
Affinity DataEC50:  1.90E+4nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537144(CHEMBL4513426)
Show SMILES CC(C)CCCc1nnc(C(CCO)CC(=O)Nc2ccc(C)cc2C)n1C1CC1
Show InChI InChI=1S/C24H36N4O2/c1-16(2)6-5-7-22-26-27-24(28(22)20-9-10-20)19(12-13-29)15-23(30)25-21-11-8-17(3)14-18(21)4/h8,11,14,16,19-20,29H,5-7,9-10,12-13,15H2,1-4H3,(H,25,30)
Affinity DataEC50:  440nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50537145(CHEMBL4526297)
Show SMILES [Na+].CC(C)Cc1cc(on1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
Show InChI InChI=1S/C26H30ClN3O5.Na/c1-14(2)10-18-13-21(34-29-18)26-24(16-5-6-16)25(30-35-26)17(7-9-23(32)33)12-22(31)28-20-8-4-15(3)11-19(20)27;/h4,8,11,13-14,16-17H,5-7,9-10,12H2,1-3H3,(H,28,31)(H,32,33);/q;+1/p-1/t17-;/m0./s1
Affinity DataEC50:  12nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid