Found 6 hits for monomerid = 50105982 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Nuclear receptor ROR-gamma (RORC)
(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 UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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)
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this Ligand-Target Pair | |
Nuclear receptor ROR-gamma (RORC)
(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 UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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)
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this Ligand-Target Pair | |
Pregnane X receptor
(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
| 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)
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
| 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)
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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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)
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
| 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)
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this Ligand-Target Pair | |