Found 143 hits of Enzyme Inhibition Constant Data 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-gamma
(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=1S/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105992
(CHEMBL3598061)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)CO)nn1C(C)C Show InChI InChI=1S/C27H29ClFN5O3/c1-15(2)34-22(11-24(31-34)30-25(36)14-35)16-7-8-21(23(10-16)33-12-17-9-18(17)13-33)32(3)27(37)26-19(28)5-4-6-20(26)29/h4-8,10-11,15,17-18,35H,9,12-14H2,1-3H3,(H,30,31,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105985
(CHEMBL3598055)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC=O)nn1C(C)C Show InChI InChI=1S/C26H27ClFN5O2/c1-15(2)33-22(11-24(30-33)29-14-34)16-7-8-21(23(10-16)32-12-17-9-18(17)13-32)31(3)26(35)25-19(27)5-4-6-20(25)28/h4-8,10-11,14-15,17-18H,9,12-13H2,1-3H3,(H,29,30,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105988
(CHEMBL3598056)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)CC)nn1C(C)C Show InChI InChI=1S/C28H31ClFN5O2/c1-5-26(36)31-25-13-23(35(32-25)16(2)3)17-9-10-22(24(12-17)34-14-18-11-19(18)15-34)33(4)28(37)27-20(29)7-6-8-21(27)30/h6-10,12-13,16,18-19H,5,11,14-15H2,1-4H3,(H,31,32,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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=1S/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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 | 
3D Structure (crystal) |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50105990
(CHEMBL3598057)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)C2CC2)nn1C(C)C Show InChI InChI=1S/C29H31ClFN5O2/c1-16(2)36-24(13-26(33-36)32-28(37)17-7-8-17)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(3)29(38)27-21(30)5-4-6-22(27)31/h4-6,9-10,12-13,16-17,19-20H,7-8,11,14-15H2,1-3H3,(H,32,33,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50106003
(CHEMBL3598071)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCC1 Show InChI InChI=1S/C28H29ClFN5O2/c1-16(36)31-26-13-24(35(32-26)20-5-3-6-20)17-9-10-23(25(12-17)34-14-18-11-19(18)15-34)33(2)28(37)27-21(29)7-4-8-22(27)30/h4,7-10,12-13,18-20H,3,5-6,11,14-15H2,1-2H3,(H,31,32,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105995
(CHEMBL3598063)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)NC)nn1C(C)C Show InChI InChI=1S/C27H30ClFN6O2/c1-15(2)35-22(12-24(32-35)31-27(37)30-3)16-8-9-21(23(11-16)34-13-17-10-18(17)14-34)33(4)26(36)25-19(28)6-5-7-20(25)29/h5-9,11-12,15,17-18H,10,13-14H2,1-4H3,(H2,30,31,32,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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=1S/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) | PDB
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| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105998
(CHEMBL3598065)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)N2CC(O)C2)nn1C(C)C Show InChI InChI=1S/C29H32ClFN6O3/c1-16(2)37-24(11-26(33-37)32-29(40)36-14-20(38)15-36)17-7-8-23(25(10-17)35-12-18-9-19(18)13-35)34(3)28(39)27-21(30)5-4-6-22(27)31/h4-8,10-11,16,18-20,38H,9,12-15H2,1-3H3,(H,32,33,40) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105991
(CHEMBL3598060)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)[C@H]2C[C@H](O)C2)nn1C(C)C |r,wU:33.36,wD:35.39,(.26,3.23,;1.33,3.85,;.26,4.46,;1.32,4.88,;2.66,3.08,;2.67,1.54,;3.73,.93,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;4,3.86,;5.33,3.09,;6.66,3.86,;6.66,5.4,;5.33,6.17,;4,5.4,;2.66,6.17,;1.44,5.49,;.22,6.2,;.22,7.6,;1.43,8.27,;2.65,7.56,;8,6.17,;8.14,7.69,;9.64,8.01,;10.27,9.42,;11.8,9.58,;12.53,8.58,;12.43,10.98,;11.85,12.37,;13.29,12.93,;13.79,14.05,;13.85,11.49,;10.42,6.68,;9.39,5.53,;9.7,4.03,;10.87,3.64,;8.78,3.21,)| Show InChI InChI=1S/C30H33ClFN5O3/c1-16(2)37-25(13-27(34-37)33-29(39)18-10-21(38)11-18)17-7-8-24(26(12-17)36-14-19-9-20(19)15-36)35(3)30(40)28-22(31)5-4-6-23(28)32/h4-8,12-13,16,18-21,38H,9-11,14-15H2,1-3H3,(H,33,34,39)/t18-,19?,20?,21- | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50106004
(CHEMBL3598072)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1CC(C)(C)C Show InChI InChI=1S/C29H33ClFN5O2/c1-17(37)32-26-13-24(36(33-26)16-29(2,3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)28(38)27-21(30)7-6-8-22(27)31/h6-10,12-13,19-20H,11,14-16H2,1-5H3,(H,32,33,37) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105997
(CHEMBL3598064)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)N2CC3(COC3)C2)nn1C(C)C Show InChI InChI=1S/C31H34ClFN6O3/c1-18(2)39-25(11-27(35-39)34-30(41)38-14-31(15-38)16-42-17-31)19-7-8-24(26(10-19)37-12-20-9-21(20)13-37)36(3)29(40)28-22(32)5-4-6-23(28)33/h4-8,10-11,18,20-21H,9,12-17H2,1-3H3,(H,34,35,41) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50106000
(CHEMBL3598066)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)NCCO)nn1C(C)C Show InChI InChI=1S/C28H32ClFN6O3/c1-16(2)36-23(13-25(33-36)32-28(39)31-9-10-37)17-7-8-22(24(12-17)35-14-18-11-19(18)15-35)34(3)27(38)26-20(29)5-4-6-21(26)30/h4-8,12-13,16,18-19,37H,9-11,14-15H2,1-3H3,(H2,31,32,33,39) | PDB
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KEGG
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PC sid
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Similars
| Article
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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
UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50106001
(CHEMBL3598068)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)OC(C)C)nn1C(C)C Show InChI InChI=1S/C29H33ClFN5O3/c1-16(2)36-24(13-26(33-36)32-29(38)39-17(3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)28(37)27-21(30)7-6-8-22(27)31/h6-10,12-13,16-17,19-20H,11,14-15H2,1-5H3,(H,32,33,38) | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
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PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105924
(CHEMBL3598043)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C24H23ClF4N4O3/c1-13(2)33-19(11-21(31-33)30-14(3)34)15-8-9-18(20(10-15)36-12-24(27,28)29)32(4)23(35)22-16(25)6-5-7-17(22)26/h5-11,13H,12H2,1-4H3,(H,30,31,34)/i4D3 | PDB
UniProtKB/SwissProt
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Similars
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PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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
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PC sid
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PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105922
(CHEMBL3598041)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cnn(C)c1C(C)C Show InChI InChI=1S/C23H22ClF4N3O2/c1-13(2)21-15(11-29-31(21)4)14-8-9-18(19(10-14)33-12-23(26,27)28)30(3)22(32)20-16(24)6-5-7-17(20)25/h5-11,13H,12H2,1-4H3/i3D3 | PDB
UniProtKB/SwissProt
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Similars
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50106005
(CHEMBL3598073)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1COC1 Show InChI InChI=1S/C27H27ClFN5O3/c1-15(35)30-25-10-23(34(31-25)19-13-37-14-19)16-6-7-22(24(9-16)33-11-17-8-18(17)12-33)32(2)27(36)26-20(28)4-3-5-21(26)29/h3-7,9-10,17-19H,8,11-14H2,1-2H3,(H,30,31,35) | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
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PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105927
(CHEMBL3598046)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OC1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C28H30ClFN4O3/c1-15(2)34-24(14-26(32-34)31-16(3)35)17-8-9-23(25(13-17)37-20-11-18-10-19(18)12-20)33(4)28(36)27-21(29)6-5-7-22(27)30/h5-9,13-15,18-20H,10-12H2,1-4H3,(H,31,32,35) | PDB
UniProtKB/SwissProt
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Similars
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PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105993
(CHEMBL3598062)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)CN(C)C)nn1C(C)C Show InChI InChI=1S/C29H34ClFN6O2/c1-17(2)37-24(13-26(33-37)32-27(38)16-34(3)4)18-9-10-23(25(12-18)36-14-19-11-20(19)15-36)35(5)29(39)28-21(30)7-6-8-22(28)31/h6-10,12-13,17,19-20H,11,14-16H2,1-5H3,(H,32,33,38) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105926
(CHEMBL3598045)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(C)C)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C26H30ClFN4O3/c1-15(2)14-35-23-12-18(22-13-24(29-17(5)33)30-32(22)16(3)4)10-11-21(23)31(6)26(34)25-19(27)8-7-9-20(25)28/h7-13,15-16H,14H2,1-6H3,(H,29,30,33)/i6D3 | PDB
UniProtKB/SwissProt
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PC cid
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Similars
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| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105920
(CHEMBL3598040)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(nn1C(C)C)C(N)=O Show InChI InChI=1S/C23H21ClF4N4O3/c1-12(2)32-18(10-16(30-32)21(29)33)13-7-8-17(19(9-13)35-11-23(26,27)28)31(3)22(34)20-14(24)5-4-6-15(20)25/h4-10,12H,11H2,1-3H3,(H2,29,33)/i3D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105921
(CHEMBL3596216)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cn(C)nc1C(C)C Show InChI InChI=1S/C23H22ClF4N3O2/c1-13(2)21-15(11-30(3)29-21)14-8-9-18(19(10-14)33-12-23(26,27)28)31(4)22(32)20-16(24)6-5-7-17(20)25/h5-11,13H,12H2,1-4H3/i4D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50105923
(CHEMBL3598042)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(CC(N)=O)nn1C(C)C Show InChI InChI=1S/C24H23ClF4N4O3/c1-13(2)33-19(10-15(31-33)11-21(30)34)14-7-8-18(20(9-14)36-12-24(27,28)29)32(3)23(35)22-16(25)5-4-6-17(22)26/h4-10,13H,11-12H2,1-3H3,(H2,30,34)/i3D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50106013
(CHEMBL3598079)Show SMILES CC(C)n1cc(NC(C)=O)nc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1 Show InChI InChI=1S/C26H30ClFN6O2/c1-16(2)34-15-22(30-17(3)35)31-24(34)18-13-21(33-11-6-5-7-12-33)25(29-14-18)32(4)26(36)23-19(27)9-8-10-20(23)28/h8-10,13-16H,5-7,11-12H2,1-4H3,(H,30,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(Homo sapiens (Human)) | BDBM50106012
(CHEMBL3598078)Show SMILES CC(C)n1nc(NC(C)=O)nc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1 Show InChI InChI=1S/C25H29ClFN7O2/c1-15(2)34-22(30-25(31-34)29-16(3)35)17-13-20(33-11-6-5-7-12-33)23(28-14-17)32(4)24(36)21-18(26)9-8-10-19(21)27/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,29,31,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo... |
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-gamma
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 98 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50106121
(CHEMBL3598059)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)[C@@H]2C[C@H](O)C2)nn1C(C)C |r,wU:33.36,35.39,(.26,3.23,;1.33,3.85,;.26,4.46,;1.32,4.88,;2.66,3.08,;2.67,1.54,;3.73,.93,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;4,3.86,;5.33,3.09,;6.66,3.86,;6.66,5.4,;5.33,6.17,;4,5.4,;2.66,6.17,;1.44,5.49,;.22,6.2,;.22,7.6,;1.43,8.27,;2.65,7.56,;8,6.17,;8.14,7.69,;9.64,8.01,;10.27,9.42,;11.8,9.58,;12.53,8.58,;12.43,10.98,;13.85,11.49,;13.29,12.93,;13.79,14.05,;11.85,12.37,;10.42,6.68,;9.39,5.53,;9.7,4.03,;10.87,3.64,;8.78,3.21,)| Show InChI InChI=1S/C30H33ClFN5O3/c1-16(2)37-25(13-27(34-37)33-29(39)18-10-21(38)11-18)17-7-8-24(26(12-17)36-14-19-9-20(19)15-36)35(3)30(40)28-22(31)5-4-6-23(28)32/h4-8,12-13,16,18-21,38H,9-11,14-15H2,1-3H3,(H,33,34,39)/t18-,19?,20?,21+/i3D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50106000
(CHEMBL3598066)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)NCCO)nn1C(C)C Show InChI InChI=1S/C28H32ClFN6O3/c1-16(2)36-23(13-25(33-36)32-28(39)31-9-10-37)17-7-8-22(24(12-17)35-14-18-11-19(18)15-35)34(3)27(38)26-20(29)5-4-6-21(26)30/h4-8,12-13,16,18-19,37H,9-11,14-15H2,1-3H3,(H2,31,32,33,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 37 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Mus musculus) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.11E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | 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=1S/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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | BDBM50105991
(CHEMBL3598060)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)[C@H]2C[C@H](O)C2)nn1C(C)C |r,wU:33.36,wD:35.39,(.26,3.23,;1.33,3.85,;.26,4.46,;1.32,4.88,;2.66,3.08,;2.67,1.54,;3.73,.93,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;4,3.86,;5.33,3.09,;6.66,3.86,;6.66,5.4,;5.33,6.17,;4,5.4,;2.66,6.17,;1.44,5.49,;.22,6.2,;.22,7.6,;1.43,8.27,;2.65,7.56,;8,6.17,;8.14,7.69,;9.64,8.01,;10.27,9.42,;11.8,9.58,;12.53,8.58,;12.43,10.98,;11.85,12.37,;13.29,12.93,;13.79,14.05,;13.85,11.49,;10.42,6.68,;9.39,5.53,;9.7,4.03,;10.87,3.64,;8.78,3.21,)| Show InChI InChI=1S/C30H33ClFN5O3/c1-16(2)37-25(13-27(34-37)33-29(39)18-10-21(38)11-18)17-7-8-24(26(12-17)36-14-19-9-20(19)15-36)35(3)30(40)28-22(31)5-4-6-23(28)32/h4-8,12-13,16,18-21,38H,9-11,14-15H2,1-3H3,(H,33,34,39)/t18-,19?,20?,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 134 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-alpha
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORalpha (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-alpha
(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=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORalpha (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-alpha
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORalpha (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)) | 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
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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=1S/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
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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=1S/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) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 subfamily 1 group I member 2
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Biogen
Curated by ChEMBL
| Assay Description
Activation of PXR (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 subfamily 1 group I member 2
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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
Activation of PXR (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-gamma
(Homo sapiens (Human)) | BDBM50105922
(CHEMBL3598041)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cnn(C)c1C(C)C Show InChI InChI=1S/C23H22ClF4N3O2/c1-13(2)21-15(11-29-31(21)4)14-8-9-18(19(10-14)33-12-23(26,27)28)30(3)22(32)20-16(24)6-5-7-17(20)25/h5-11,13H,12H2,1-4H3/i3D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(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=1S/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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 |
3D Structure (crystal) |
Nuclear receptor ROR-gamma
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105988
(CHEMBL3598056)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)CC)nn1C(C)C Show InChI InChI=1S/C28H31ClFN5O2/c1-5-26(36)31-25-13-23(35(32-25)16(2)3)17-9-10-22(24(12-17)34-14-18-11-19(18)15-34)33(4)28(37)27-20(29)7-6-8-21(27)30/h6-10,12-13,16,18-19H,5,11,14-15H2,1-4H3,(H,31,32,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105998
(CHEMBL3598065)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)N2CC(O)C2)nn1C(C)C Show InChI InChI=1S/C29H32ClFN6O3/c1-16(2)37-24(11-26(33-37)32-29(40)36-14-20(38)15-36)17-7-8-23(25(10-17)35-12-18-9-19(18)13-35)34(3)28(39)27-21(30)5-4-6-22(27)31/h4-8,10-11,16,18-20,38H,9,12-15H2,1-3H3,(H,32,33,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50106123
(CHEMBL3598069)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)OC2(C)CC2)nn1C(C)C Show InChI InChI=1S/C30H33ClFN5O3/c1-17(2)37-24(14-26(34-37)33-29(39)40-30(3)10-11-30)18-8-9-23(25(13-18)36-15-19-12-20(19)16-36)35(4)28(38)27-21(31)6-5-7-22(27)32/h5-9,13-14,17,19-20H,10-12,15-16H2,1-4H3,(H,33,34,39)/i4D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Mus musculus) | 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=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 355 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-alpha
(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=1S/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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORalpha (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-alpha
(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=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORalpha (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)) | 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=1S/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) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 subfamily 1 group I member 2
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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
Activation of PXR (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 subfamily 1 group I member 2
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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
Activation of PXR (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-gamma
(Homo sapiens (Human)) | BDBM50105921
(CHEMBL3596216)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cn(C)nc1C(C)C Show InChI InChI=1S/C23H22ClF4N3O2/c1-13(2)21-15(11-30(3)29-21)14-8-9-18(19(10-14)33-12-23(26,27)28)31(4)22(32)20-16(24)6-5-7-17(20)25/h5-11,13H,12H2,1-4H3/i4D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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 RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105924
(CHEMBL3598043)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C24H23ClF4N4O3/c1-13(2)33-19(11-21(31-33)30-14(3)34)15-8-9-18(20(10-15)36-12-24(27,28)29)32(4)23(35)22-16(25)6-5-7-17(22)26/h5-11,13H,12H2,1-4H3,(H,30,31,34)/i4D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105985
(CHEMBL3598055)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC=O)nn1C(C)C Show InChI InChI=1S/C26H27ClFN5O2/c1-15(2)33-22(11-24(30-33)29-14-34)16-7-8-21(23(10-16)32-12-17-9-18(17)13-32)31(3)26(35)25-19(27)5-4-6-20(25)28/h4-8,10-11,14-15,17-18H,9,12-13H2,1-3H3,(H,29,30,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105993
(CHEMBL3598062)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)CN(C)C)nn1C(C)C Show InChI InChI=1S/C29H34ClFN6O2/c1-17(2)37-24(13-26(33-37)32-27(38)16-34(3)4)18-9-10-23(25(12-18)36-14-19-11-20(19)15-36)35(5)29(39)28-21(30)7-6-8-22(28)31/h6-10,12-13,17,19-20H,11,14-16H2,1-5H3,(H,32,33,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50106003
(CHEMBL3598071)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCC1 Show InChI InChI=1S/C28H29ClFN5O2/c1-16(36)31-26-13-24(35(32-26)20-5-3-6-20)17-9-10-23(25(12-17)34-14-18-11-19(18)15-34)33(2)28(37)27-21(29)7-4-8-22(27)30/h4,7-10,12-13,18-20H,3,5-6,11,14-15H2,1-2H3,(H,31,32,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Mus musculus) | BDBM50106121
(CHEMBL3598059)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)[C@@H]2C[C@H](O)C2)nn1C(C)C |r,wU:33.36,35.39,(.26,3.23,;1.33,3.85,;.26,4.46,;1.32,4.88,;2.66,3.08,;2.67,1.54,;3.73,.93,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;4,3.86,;5.33,3.09,;6.66,3.86,;6.66,5.4,;5.33,6.17,;4,5.4,;2.66,6.17,;1.44,5.49,;.22,6.2,;.22,7.6,;1.43,8.27,;2.65,7.56,;8,6.17,;8.14,7.69,;9.64,8.01,;10.27,9.42,;11.8,9.58,;12.53,8.58,;12.43,10.98,;13.85,11.49,;13.29,12.93,;13.79,14.05,;11.85,12.37,;10.42,6.68,;9.39,5.53,;9.7,4.03,;10.87,3.64,;8.78,3.21,)| Show InChI InChI=1S/C30H33ClFN5O3/c1-16(2)37-25(13-27(34-37)33-29(39)18-10-21(38)11-18)17-7-8-24(26(12-17)36-14-19-9-20(19)15-36)35(3)30(40)28-22(31)5-4-6-23(28)32/h4-8,12-13,16,18-21,38H,9-11,14-15H2,1-3H3,(H,33,34,39)/t18-,19?,20?,21+/i3D3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 134 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-alpha
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORalpha (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-alpha
(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=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 RORalpha (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
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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=1S/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) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 subfamily 1 group I member 2
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Biogen
Curated by ChEMBL
| Assay Description
Activation of PXR (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-gamma
(Homo sapiens (Human)) | BDBM50105920
(CHEMBL3598040)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(nn1C(C)C)C(N)=O Show InChI InChI=1S/C23H21ClF4N4O3/c1-12(2)32-18(10-16(30-32)21(29)33)13-7-8-17(19(9-13)35-11-23(26,27)28)31(3)22(34)20-14(24)5-4-6-15(20)25/h4-10,12H,11H2,1-3H3,(H2,29,33)/i3D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 570 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105926
(CHEMBL3598045)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(C)C)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C26H30ClFN4O3/c1-15(2)14-35-23-12-18(22-13-24(29-17(5)33)30-32(22)16(3)4)10-11-21(23)31(6)26(34)25-19(27)8-7-9-20(25)28/h7-13,15-16H,14H2,1-6H3,(H,29,30,33)/i6D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105990
(CHEMBL3598057)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)C2CC2)nn1C(C)C Show InChI InChI=1S/C29H31ClFN5O2/c1-16(2)36-24(13-26(33-36)32-28(37)17-7-8-17)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(3)29(38)27-21(30)5-4-6-22(27)31/h4-6,9-10,12-13,16-17,19-20H,7-8,11,14-15H2,1-3H3,(H,32,33,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.60 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105995
(CHEMBL3598063)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)NC)nn1C(C)C Show InChI InChI=1S/C27H30ClFN6O2/c1-15(2)35-22(12-24(32-35)31-27(37)30-3)16-8-9-21(23(11-16)34-13-17-10-18(17)14-34)33(4)26(36)25-19(28)6-5-7-20(25)29/h5-9,11-12,15,17-18H,10,13-14H2,1-4H3,(H2,30,31,32,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Mus musculus) | BDBM50105922
(CHEMBL3598041)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cnn(C)c1C(C)C Show InChI InChI=1S/C23H22ClF4N3O2/c1-13(2)21-15(11-29-31(21)4)14-8-9-18(19(10-14)33-12-23(26,27)28)30(3)22(32)20-16(24)6-5-7-17(20)25/h5-11,13H,12H2,1-4H3/i3D3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 818 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | BDBM50105992
(CHEMBL3598061)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)CO)nn1C(C)C Show InChI InChI=1S/C27H29ClFN5O3/c1-15(2)34-22(11-24(31-34)30-25(36)14-35)16-7-8-21(23(10-16)33-12-17-9-18(17)13-33)32(3)27(37)26-19(28)5-4-6-20(26)29/h4-8,10-11,15,17-18,35H,9,12-14H2,1-3H3,(H,30,31,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-alpha
(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=1S/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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORalpha (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)) | 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
antibodypedia
GoogleScholar
AffyNet
| 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 subfamily 1 group I member 2
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Biogen
Curated by ChEMBL
| Assay Description
Activation of PXR (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 subfamily 1 group I member 2
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Biogen
Curated by ChEMBL
| Assay Description
Activation of PXR (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 subfamily 1 group I member 2
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Activation of PXR (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 subfamily 1 group I member 2
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Activation of PXR (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-gamma
(Homo sapiens (Human)) | BDBM50106012
(CHEMBL3598078)Show SMILES CC(C)n1nc(NC(C)=O)nc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1 Show InChI InChI=1S/C25H29ClFN7O2/c1-15(2)34-22(30-25(31-34)29-16(3)35)17-13-20(33-11-6-5-7-12-33)23(28-14-17)32(4)24(36)21-18(26)9-8-10-19(21)27/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,29,31,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Mus musculus) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 895 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | BDBM50105920
(CHEMBL3598040)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(nn1C(C)C)C(N)=O Show InChI InChI=1S/C23H21ClF4N4O3/c1-12(2)32-18(10-16(30-32)21(29)33)13-7-8-17(19(9-13)35-11-23(26,27)28)31(3)22(34)20-14(24)5-4-6-15(20)25/h4-10,12H,11H2,1-3H3,(H2,29,33)/i3D3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | BDBM50106014
(CHEMBL3598058)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)C(C)C)nn1C(C)C Show InChI InChI=1S/C29H33ClFN5O2/c1-16(2)28(37)32-26-13-24(36(33-26)17(3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)29(38)27-21(30)7-6-8-22(27)31/h6-10,12-13,16-17,19-20H,11,14-15H2,1-5H3,(H,32,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 128 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | BDBM50105995
(CHEMBL3598063)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)NC)nn1C(C)C Show InChI InChI=1S/C27H30ClFN6O2/c1-15(2)35-22(12-24(32-35)31-27(37)30-3)16-8-9-21(23(11-16)34-13-17-10-18(17)14-34)33(4)26(36)25-19(28)6-5-7-20(25)29/h5-9,11-12,15,17-18H,10,13-14H2,1-4H3,(H2,30,31,32,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 354 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | BDBM50106007
(CHEMBL3598074)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1CC1CC1 Show InChI InChI=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 201 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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
antibodypedia
GoogleScholar
AffyNet
| 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-gamma
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105927
(CHEMBL3598046)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OC1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C28H30ClFN4O3/c1-15(2)34-24(14-26(32-34)31-16(3)35)17-8-9-23(25(13-17)37-20-11-18-10-19(18)12-20)33(4)28(36)27-21(29)6-5-7-22(27)30/h5-9,13-15,18-20H,10-12H2,1-4H3,(H,31,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105991
(CHEMBL3598060)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)[C@H]2C[C@H](O)C2)nn1C(C)C |r,wU:33.36,wD:35.39,(.26,3.23,;1.33,3.85,;.26,4.46,;1.32,4.88,;2.66,3.08,;2.67,1.54,;3.73,.93,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;4,3.86,;5.33,3.09,;6.66,3.86,;6.66,5.4,;5.33,6.17,;4,5.4,;2.66,6.17,;1.44,5.49,;.22,6.2,;.22,7.6,;1.43,8.27,;2.65,7.56,;8,6.17,;8.14,7.69,;9.64,8.01,;10.27,9.42,;11.8,9.58,;12.53,8.58,;12.43,10.98,;11.85,12.37,;13.29,12.93,;13.79,14.05,;13.85,11.49,;10.42,6.68,;9.39,5.53,;9.7,4.03,;10.87,3.64,;8.78,3.21,)| Show InChI InChI=1S/C30H33ClFN5O3/c1-16(2)37-25(13-27(34-37)33-29(39)18-10-21(38)11-18)17-7-8-24(26(12-17)36-14-19-9-20(19)15-36)35(3)30(40)28-22(31)5-4-6-23(28)32/h4-8,12-13,16,18-21,38H,9-11,14-15H2,1-3H3,(H,33,34,39)/t18-,19?,20?,21- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50106004
(CHEMBL3598072)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1CC(C)(C)C Show InChI InChI=1S/C29H33ClFN5O2/c1-17(37)32-26-13-24(36(33-26)16-29(2,3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)28(38)27-21(30)7-6-8-22(27)31/h6-10,12-13,19-20H,11,14-16H2,1-5H3,(H,32,33,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 55 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50106005
(CHEMBL3598073)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1COC1 Show InChI InChI=1S/C27H27ClFN5O3/c1-15(35)30-25-10-23(34(31-25)19-13-37-14-19)16-6-7-22(24(9-16)33-11-17-8-18(17)12-33)32(2)27(36)26-20(28)4-3-5-21(26)29/h3-7,9-10,17-19H,8,11-14H2,1-2H3,(H,30,31,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 76 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50106013
(CHEMBL3598079)Show SMILES CC(C)n1cc(NC(C)=O)nc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1 Show InChI InChI=1S/C26H30ClFN6O2/c1-16(2)34-15-22(30-17(3)35)31-24(34)18-13-21(33-11-6-5-7-12-33)25(29-14-18)32(4)26(36)23-19(27)9-8-10-20(23)28/h8-10,13-16H,5-7,11-12H2,1-4H3,(H,30,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Mus musculus) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | 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=1S/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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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 |
3D Structure (crystal) |
Nuclear receptor ROR-gamma
(Mus musculus) | BDBM50105997
(CHEMBL3598064)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)N2CC3(COC3)C2)nn1C(C)C Show InChI InChI=1S/C31H34ClFN6O3/c1-18(2)39-25(11-27(35-39)34-30(41)38-14-31(15-38)16-42-17-31)19-7-8-24(26(10-19)37-12-20-9-21(20)13-37)36(3)29(40)28-22(32)5-4-6-23(28)33/h4-8,10-11,18,20-21H,9,12-17H2,1-3H3,(H,34,35,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 148 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | BDBM50106002
(CHEMBL3598070)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCCC1 Show InChI InChI=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-alpha
(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=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 RORalpha (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-alpha
(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=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORalpha (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-alpha
(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=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 RORalpha (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-alpha
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORalpha (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)) | 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=1S/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
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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
antibodypedia
GoogleScholar
AffyNet
| 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 subfamily 1 group I member 2
(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=1S/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Activation of PXR (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 subfamily 1 group I member 2
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Biogen
Curated by ChEMBL
| Assay Description
Activation of PXR (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-gamma
(Homo sapiens (Human)) | BDBM50105923
(CHEMBL3598042)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(CC(N)=O)nn1C(C)C Show InChI InChI=1S/C24H23ClF4N4O3/c1-13(2)33-19(10-15(31-33)11-21(30)34)14-7-8-18(20(9-14)36-12-24(27,28)29)32(3)23(35)22-16(25)5-4-6-17(22)26/h4-10,13H,11-12H2,1-3H3,(H2,30,34)/i3D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(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=1S/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105997
(CHEMBL3598064)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)N2CC3(COC3)C2)nn1C(C)C Show InChI InChI=1S/C31H34ClFN6O3/c1-18(2)39-25(11-27(35-39)34-30(41)38-14-31(15-38)16-42-17-31)19-7-8-24(26(10-19)37-12-20-9-21(20)13-37)36(3)29(40)28-22(32)5-4-6-23(28)33/h4-8,10-11,18,20-21H,9,12-17H2,1-3H3,(H,34,35,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50106122
(CHEMBL3598067)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)NC(CO)CO)nn1C(C)C Show InChI InChI=1S/C29H34ClFN6O4/c1-16(2)37-24(11-26(34-37)33-29(41)32-20(14-38)15-39)17-7-8-23(25(10-17)36-12-18-9-19(18)13-36)35(3)28(40)27-21(30)5-4-6-22(27)31/h4-8,10-11,16,18-20,38-39H,9,12-15H2,1-3H3,(H2,32,33,34,41)/i3D3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 71 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50106001
(CHEMBL3598068)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)OC(C)C)nn1C(C)C Show InChI InChI=1S/C29H33ClFN5O3/c1-16(2)36-24(13-26(33-36)32-29(38)39-17(3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)28(37)27-21(30)7-6-8-22(27)31/h6-10,12-13,16-17,19-20H,11,14-15H2,1-5H3,(H,32,33,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Mus musculus) | 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=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | BDBM50105988
(CHEMBL3598056)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)CC)nn1C(C)C Show InChI InChI=1S/C28H31ClFN5O2/c1-5-26(36)31-25-13-23(35(32-25)16(2)3)17-9-10-22(24(12-17)34-14-18-11-19(18)15-34)33(4)28(37)27-20(29)7-6-8-21(27)30/h6-10,12-13,16,18-19H,5,11,14-15H2,1-4H3,(H,31,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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=1S/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) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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=1S/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) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 subfamily 1 group I member 2
(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=1S/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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Activation of PXR (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 subfamily 1 group I member 2
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Activation of PXR (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-gamma
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50106014
(CHEMBL3598058)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)C(C)C)nn1C(C)C Show InChI InChI=1S/C29H33ClFN5O2/c1-16(2)28(37)32-26-13-24(36(33-26)17(3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)29(38)27-21(30)7-6-8-22(27)31/h6-10,12-13,16-17,19-20H,11,14-15H2,1-5H3,(H,32,33,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Homo sapiens (Human)) | BDBM50105992
(CHEMBL3598061)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)CO)nn1C(C)C Show InChI InChI=1S/C27H29ClFN5O3/c1-15(2)34-22(11-24(31-34)30-25(36)14-35)16-7-8-21(23(10-16)33-12-17-9-18(17)13-33)32(3)27(37)26-19(28)5-4-6-20(26)29/h4-8,10-11,15,17-18,35H,9,12-14H2,1-3H3,(H,30,31,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay |
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-gamma
(Mus musculus) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | BDBM50105990
(CHEMBL3598057)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)C2CC2)nn1C(C)C Show InChI InChI=1S/C29H31ClFN5O2/c1-16(2)36-24(13-26(33-36)32-28(37)17-7-8-17)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(3)29(38)27-21(30)5-4-6-22(27)31/h4-6,9-10,12-13,16-17,19-20H,7-8,11,14-15H2,1-3H3,(H,32,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 88 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | BDBM50106003
(CHEMBL3598071)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCC1 Show InChI InChI=1S/C28H29ClFN5O2/c1-16(36)31-26-13-24(35(32-26)20-5-3-6-20)17-9-10-23(25(12-17)34-14-18-11-19(18)15-34)33(2)28(37)27-21(29)7-4-8-22(27)30/h4,7-10,12-13,18-20H,3,5-6,11,14-15H2,1-2H3,(H,31,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 199 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-gamma
(Mus musculus) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA |
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-alpha
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORalpha (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-alpha
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 RORalpha (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
antibodypedia
GoogleScholar
AffyNet
| 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)) | BDBM50106002
(CHEMBL3598070)Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCCC1 Show InChI InChI=1S/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) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 | |
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