Found 175 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-beta' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50105981
(CHEMBL3598052)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(Cl)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1/C27H29Cl2N5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)/i4D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50105930
(CHEMBL3598049)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCCC1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C27H31ClFN5O2/c1-17(2)34-23(16-25(31-34)30-18(3)35)19-11-12-22(24(15-19)33-13-6-5-7-14-33)32(4)27(36)26-20(28)9-8-10-21(26)29/h8-12,15-17H,5-7,13-14H2,1-4H3,(H,30,31,35)/i4D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50106011
(CHEMBL3598077)Show SMILES CC(C)c1nc(NC(C)=O)sc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1 Show InChI InChI=1S/C26H29ClFN5O2S/c1-15(2)22-23(36-26(31-22)30-16(3)34)17-13-20(33-11-6-5-7-12-33)24(29-14-17)32(4)25(35)21-18(27)9-8-10-19(21)28/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,30,31,34) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50105925
(CHEMBL3598044)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC1CCC1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C27H30ClFN4O3/c1-16(2)33-23(14-25(31-33)30-17(3)34)19-11-12-22(24(13-19)36-15-18-7-5-8-18)32(4)27(35)26-20(28)9-6-10-21(26)29/h6,9-14,16,18H,5,7-8,15H2,1-4H3,(H,30,31,34)/i4D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 900 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50105929
(CHEMBL3598048)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCC1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C26H29ClFN5O2/c1-16(2)33-22(15-24(30-33)29-17(3)34)18-10-11-21(23(14-18)32-12-5-6-13-32)31(4)26(35)25-19(27)8-7-9-20(25)28/h7-11,14-16H,5-6,12-13H2,1-4H3,(H,29,30,34)/i4D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50108881
(CHEMBL3596591)Show SMILES NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta transfected in HEK293T cells by Gal4 luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 2459-63 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50105932
(CHEMBL3598050)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1-c1ccccc1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C28H26ClFN4O2/c1-17(2)34-25(16-26(32-34)31-18(3)35)20-13-14-24(21(15-20)19-9-6-5-7-10-19)33(4)28(36)27-22(29)11-8-12-23(27)30/h5-17H,1-4H3,(H,31,32,35)/i4D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50050087
(CHEMBL3317840 | US9216988, 50)Show SMILES CC(C)N(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H31N3O3S/c1-19(2)26(30(28,29)18-22-7-5-4-6-8-22)17-21-9-11-23(12-10-21)25-15-13-24(14-16-25)20(3)27/h4-12,19H,13-18H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-g... |
Bioorg Med Chem Lett 24: 3891-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.048
BindingDB Entry DOI: 10.7270/Q2CR5W1Q |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50105928
(CHEMBL3598047)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1/C27H29ClFN5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)/i4D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50106008
(CHEMBL3598075)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C1CC1 Show InChI InChI=1/C29H31ClFN5O2/c1-16(18-7-8-18)36-25(13-27(33-36)32-17(2)37)19-9-10-24(26(12-19)35-14-20-11-21(20)15-35)34(3)29(38)28-22(30)5-4-6-23(28)31/h4-6,9-10,12-13,16,18,20-21H,7-8,11,14-15H2,1-3H3,(H,32,33,37)/i3D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50106002
(CHEMBL3598070)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCCC1 Show InChI InChI=1/C29H31ClFN5O2/c1-17(37)32-27-14-25(36(33-27)21-6-3-4-7-21)18-10-11-24(26(13-18)35-15-19-12-20(19)16-35)34(2)29(38)28-22(30)8-5-9-23(28)31/h5,8-11,13-14,19-21H,3-4,6-7,12,15-16H2,1-2H3,(H,32,33,37)/i2D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50105982
(CHEMBL3598053)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(C)cccc1F)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1/C28H32FN5O2/c1-16(2)34-24(13-26(31-34)30-18(4)35)19-9-10-23(25(12-19)33-14-20-11-21(20)15-33)32(5)28(36)27-17(3)7-6-8-22(27)29/h6-10,12-13,16,20-21H,11,14-15H2,1-5H3,(H,30,31,35)/i5D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50105933
(CHEMBL3598051)Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1 Show InChI InChI=1/C27H29ClFN5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50106007
(CHEMBL3598074)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1CC1CC1 Show InChI InChI=1/C28H29ClFN5O2/c1-16(36)31-26-12-24(35(32-26)13-17-6-7-17)18-8-9-23(25(11-18)34-14-19-10-20(19)15-34)33(2)28(37)27-21(29)4-3-5-22(27)30/h3-5,8-9,11-12,17,19-20H,6-7,10,13-15H2,1-2H3,(H,31,32,36)/i2D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50105919
(CHEMBL3596632)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C23H16Cl2F4N2O3/c1-31(22(33)20-16(25)3-2-4-17(20)26)18-8-6-12(10-19(18)34-11-23(27,28)29)14-9-13(21(30)32)5-7-15(14)24/h2-10H,11H2,1H3,(H2,30,32)/i1D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.93E+3 | n/a | n/a | n/a | n/a |
Biogen Idec Inc
Curated by ChEMBL
| Assay Description
Inverse agonist activity at Gal4 DNA binding domain-tagged human RORbeta expressed in HEK293T cells assessed as effect on receptor-mediated transcrip... |
Bioorg Med Chem Lett 25: 2991-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.026
BindingDB Entry DOI: 10.7270/Q2ZP47XQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012123
(CHEMBL3263696)Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-7-5-4-6-8-19)16-21-11-14-23(29-21)20-9-12-22(13-10-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay |
Bioorg Med Chem Lett 24: 2182-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.038
BindingDB Entry DOI: 10.7270/Q29K4CSN |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50106009
(CHEMBL3598076)Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1 Show InChI InChI=1S/C26H30ClFN6O2/c1-16(2)34-21(14-23(31-34)30-17(3)35)18-13-22(33-11-6-5-7-12-33)25(29-15-18)32(4)26(36)24-19(27)9-8-10-20(24)28/h8-10,13-16H,5-7,11-12H2,1-4H3,(H,30,31,35) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012130
(CHEMBL3263710)Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)31(3,27)28/h4-16,20H,17-19H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay |
Bioorg Med Chem Lett 24: 2182-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.038
BindingDB Entry DOI: 10.7270/Q29K4CSN |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012130
(CHEMBL3263710)Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)31(3,27)28/h4-16,20H,17-19H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 24: 5769-76 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012130
(CHEMBL3263710)Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)31(3,27)28/h4-16,20H,17-19H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-g... |
Bioorg Med Chem Lett 24: 3891-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.048
BindingDB Entry DOI: 10.7270/Q2CR5W1Q |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50090086
(CHEMBL3581533 | US9216988, 92)Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2F)c(F)c1 Show InChI InChI=1S/C24H29F2N3O3S/c1-18(30)27-11-13-28(14-12-27)22-10-9-19(24(26)15-22)16-29(21-6-4-7-21)33(31,32)17-20-5-2-3-8-23(20)25/h2-3,5,8-10,15,21H,4,6-7,11-14,16-17H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
ACS Med Chem Lett 6: 276-81 (2015)
Article DOI: 10.1021/ml500420y
BindingDB Entry DOI: 10.7270/Q2TT4SPB |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50035885
(CHEMBL3361064)Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cn1 Show InChI InChI=1S/C23H30F3N3O5S2/c1-17(2)15-29(16-18-6-4-5-7-21(18)23(24,25)26)36(32,33)22-9-8-20(14-27-22)34-19-10-12-28(13-11-19)35(3,30)31/h4-9,14,17,19H,10-13,15-16H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.10E+3 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 24: 5769-76 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50044160
(CHEMBL3314003)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12 Show InChI InChI=1S/C22H17ClF2N2O3S/c23-18-4-1-5-19(25)21(18)22(28)26-16-9-6-14-3-2-12-27(20(14)13-16)31(29,30)17-10-7-15(24)8-11-17/h1,4-11,13H,2-3,12H2,(H,26,28) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by... |
Bioorg Med Chem Lett 25: 4109-13 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012124
(CHEMBL3263714)Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C25H30N2O4S2/c1-20(2)17-27(33(30,31)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-32(3,28)29/h4-16,20,26H,17-19H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay |
Bioorg Med Chem Lett 24: 2182-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.038
BindingDB Entry DOI: 10.7270/Q29K4CSN |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50035907
(CHEMBL3361050)Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C24H32F3N3O4S2/c1-18(2)16-30(17-19-6-4-5-7-23(19)24(25,26)27)36(33,34)22-10-8-20(9-11-22)28-21-12-14-29(15-13-21)35(3,31)32/h4-11,18,21,28H,12-17H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 24: 5769-76 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50426729
(CHEMBL2326845)Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 23: 6604-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50121988
(CHEMBL3617309)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12 Show InChI InChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by... |
Bioorg Med Chem Lett 25: 4109-13 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012122
(CHEMBL3263695)Show SMILES CC(C)CN(Cc1ccc(s1)-c1cccc(c1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-8-5-4-6-9-19)16-21-12-13-23(29-21)20-10-7-11-22(14-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay |
Bioorg Med Chem Lett 24: 2182-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.038
BindingDB Entry DOI: 10.7270/Q29K4CSN |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50444335
(CHEMBL3094367)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 23: 6604-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50121938
(CHEMBL3617295)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12 Show InChI InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by... |
Bioorg Med Chem Lett 25: 4109-13 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Agonist activity at RoRb (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 NR reporter cell-based assay |
J Med Chem 57: 5871-92 (2014)
Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50444333
(CHEMBL3094369)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Agonist activity at RoRb (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 NR reporter cell-based assay |
J Med Chem 57: 5871-92 (2014)
Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 23: 6604-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50444333
(CHEMBL3094369)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 23: 6604-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50105984
(CHEMBL3598054)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ncc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1/C26H28ClFN6O2/c1-14(2)34-21(10-23(31-34)30-15(3)35)16-9-22(33-12-17-8-18(17)13-33)25(29-11-16)32(4)26(36)24-19(27)6-5-7-20(24)28/h5-7,9-11,14,17-18H,8,12-13H2,1-4H3,(H,30,31,35)/i4D3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORbeta (unknown origin) |
Bioorg Med Chem Lett 25: 2985-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50121939
(CHEMBL3617297)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12 Show InChI InChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by... |
Bioorg Med Chem Lett 25: 4109-13 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50035918
(CHEMBL3361061)Show SMILES CC(C)CN(c1ccc(cc1)C#N)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C23H29N3O5S2/c1-18(2)17-26(20-6-4-19(16-24)5-7-20)33(29,30)23-10-8-21(9-11-23)31-22-12-14-25(15-13-22)32(3,27)28/h4-11,18,22H,12-15,17H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 24: 5769-76 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012126
(CHEMBL3263716)Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)C(N)=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C25H28N2O3S/c1-19(2)16-27(31(29,30)18-21-6-4-3-5-7-21)17-20-8-10-22(11-9-20)23-12-14-24(15-13-23)25(26)28/h3-15,19H,16-18H2,1-2H3,(H2,26,28) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay |
Bioorg Med Chem Lett 24: 2182-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.038
BindingDB Entry DOI: 10.7270/Q29K4CSN |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50035908
(CHEMBL3361051)Show SMILES CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C23H30F3N3O4S2/c1-17(2)16-29(22-7-5-4-6-21(22)23(24,25)26)35(32,33)20-10-8-18(9-11-20)27-19-12-14-28(15-13-19)34(3,30)31/h4-11,17,19,27H,12-16H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 24: 5769-76 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50035915
(CHEMBL3361058)Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 24: 5769-76 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50050083
(CHEMBL3317833 | US9216988, 101)Show SMILES CC(C)CN(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H33N3O3S/c1-20(2)17-27(31(29,30)19-23-7-5-4-6-8-23)18-22-9-11-24(12-10-22)26-15-13-25(14-16-26)21(3)28/h4-12,20H,13-19H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-g... |
Bioorg Med Chem Lett 24: 3891-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.048
BindingDB Entry DOI: 10.7270/Q2CR5W1Q |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50050086
(CHEMBL3317836 | US9216988, 55)Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3S/c1-20(28)25-14-16-26(17-15-25)23-12-10-21(11-13-23)18-27(24-8-5-9-24)31(29,30)19-22-6-3-2-4-7-22/h2-4,6-7,10-13,24H,5,8-9,14-19H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-g... |
Bioorg Med Chem Lett 24: 3891-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.048
BindingDB Entry DOI: 10.7270/Q2CR5W1Q |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50050117
(CHEMBL3317843 | US9216988, 54)Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(CC(F)(F)F)S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C22H26F3N3O3S/c1-18(29)26-11-13-27(14-12-26)21-9-7-19(8-10-21)15-28(17-22(23,24)25)32(30,31)16-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-g... |
Bioorg Med Chem Lett 24: 3891-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.048
BindingDB Entry DOI: 10.7270/Q2CR5W1Q |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50106286
(CHEMBL3598141 | US9550771, Example 27)Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C22H12ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h1-11H,(H,30,31) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 25: 2907-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.055
BindingDB Entry DOI: 10.7270/Q2HT2R3R |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50106287
(CHEMBL3598148 | US9550771, Example 17)Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C22H12ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h1-10,29H,(H,31,32) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 25: 2907-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.055
BindingDB Entry DOI: 10.7270/Q2HT2R3R |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50106288
(CHEMBL3598149 | US9550771, Example 28)Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)c(F)c1 Show InChI InChI=1S/C22H11ClF4N2O3/c23-14-5-3-4-13(22(25,26)27)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)12-8-7-11(21(31)32)10-15(12)24/h1-10H,(H,31,32) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 25: 2907-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.055
BindingDB Entry DOI: 10.7270/Q2HT2R3R |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50106289
(CHEMBL3596270 | US9550771, Example 21)Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(F)c1 Show InChI InChI=1S/C22H15ClF4N2O3/c23-14-5-3-4-13(22(25,26)27)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)12-8-7-11(21(31)32)10-15(12)24/h3-5,7-8,10H,1-2,6,9H2,(H,31,32) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 25: 2907-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.055
BindingDB Entry DOI: 10.7270/Q2HT2R3R |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50106290
(CHEMBL3596276 | US9550771, Example 89)Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3CCCCc23)c(F)c1 Show InChI InChI=1S/C24H20ClFN2O3/c25-17-5-3-4-15(13-7-8-13)20(17)22(29)23-27-21(19-6-1-2-11-28(19)23)16-10-9-14(24(30)31)12-18(16)26/h3-5,9-10,12-13H,1-2,6-8,11H2,(H,30,31) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 25: 2907-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.055
BindingDB Entry DOI: 10.7270/Q2HT2R3R |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50106285
(CHEMBL3596279 | US9550771, Example 91)Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccnc12 Show InChI InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b... |
Bioorg Med Chem Lett 25: 2907-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.055
BindingDB Entry DOI: 10.7270/Q2HT2R3R |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50153594
(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=1/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-/s2 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human RORbeta |
ACS Med Chem Lett 7: 23-7 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00253
BindingDB Entry DOI: 10.7270/Q2N58P7P |
More data for this
Ligand-Target Pair | |
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