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SMILES: CC(=O)NCC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=MMHWOVRTJVIWTP-QZNHQXDQSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 414298   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM414298
PNG
(US10435369, Example 185)
Show SMILES CC(=O)NCC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H24F8N2O4S/c1-14(37)35-13-22(38)36-21-10-11-23(41(39,40)18-6-4-17(27)5-7-18)19-9-3-16(12-15(19)2-8-20(21)23)24(28,25(29,30)31)26(32,33)34/h3-7,9,12,20-21H,2,8,10-11,13H2,1H3,(H,35,37)(H,36,38)/t20-,21+,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Inverse agonist activity of potential ligands to RORγ was measured by inhibition of luminescence in a Gal4-luciferase reporter assay in Jurkat c...


US Patent US10435369 (2019)


BindingDB Entry DOI: 10.7270/Q21V5HB4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM414298
PNG
(US10435369, Example 185)
Show SMILES CC(=O)NCC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H24F8N2O4S/c1-14(37)35-13-22(38)36-21-10-11-23(41(39,40)18-6-4-17(27)5-7-18)19-9-3-16(12-15(19)2-8-20(21)23)24(28,25(29,30)31)26(32,33)34/h3-7,9,12,20-21H,2,8,10-11,13H2,1H3,(H,35,37)(H,36,38)/t20-,21+,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 95n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01992
BindingDB Entry DOI: 10.7270/Q2N87FJG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM414298
PNG
(US10435369, Example 185)
Show SMILES CC(=O)NCC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H24F8N2O4S/c1-14(37)35-13-22(38)36-21-10-11-23(41(39,40)18-6-4-17(27)5-7-18)19-9-3-16(12-15(19)2-8-20(21)23)24(28,25(29,30)31)26(32,33)34/h3-7,9,12,20-21H,2,8,10-11,13H2,1H3,(H,35,37)(H,36,38)/t20-,21+,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.5n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01992
BindingDB Entry DOI: 10.7270/Q2N87FJG
More data for this
Ligand-Target Pair