Compile Data Set for Download or QSAR

PubMed code 30776227

Found 38 hits of Enzyme Inhibition Constant Data   

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 testosterone as substrateMore 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
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 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 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
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
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
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
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
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
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
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
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
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
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
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-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
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
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
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
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
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
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
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
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-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
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
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
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
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
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
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
* indicates data uncertainty>20%