Found 3 hits for monomerid = 50105991 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)) | 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 UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)
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
| 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)
BindingDB Entry DOI: 10.7270/Q2X3508H |
More data for this Ligand-Target Pair | |
Nuclear receptor ROR-gamma (RORC)
(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 UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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 | |