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BDBM342011 US9771320, Example 245::US9771320, Example 246

SMILES: CC(=O)NC1CC(C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=JABJGZAZZUQTCK-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 342011   
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))
BDBM342011
PNG
(US9771320, Example 245 | US9771320, Example 246)
Show SMILES CC(=O)NC1CC(C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H22F9NO4S/c1-16(39)38-20-13-25(14-20,43(40,41)21-11-9-19(29)10-12-21)17-5-7-18(8-6-17)26(27(32,33)34,28(35,36)37)42-15-22-23(30)3-2-4-24(22)31/h2-12,20H,13-15H2,1H3,(H,38,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 277n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM342011
PNG
(US9771320, Example 245 | US9771320, Example 246)
Show SMILES CC(=O)NC1CC(C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H22F9NO4S/c1-16(39)38-20-13-25(14-20,43(40,41)21-11-9-19(29)10-12-21)17-5-7-18(8-6-17)26(27(32,33)34,28(35,36)37)42-15-22-23(30)3-2-4-24(22)31/h2-12,20H,13-15H2,1H3,(H,38,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

More data for this
Ligand-Target Pair