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BDBM341992 US9771320, Example 226

SMILES: CC1(O)CCN(CC1)C(=O)[C@H]1C[C@@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=VFCLWNJLTWEHPC-VDWZPBOZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341992   
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))
BDBM341992
PNG
(US9771320, Example 226)
Show SMILES CC1(O)CCN(CC1)C(=O)[C@H]1C[C@@](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/C33H30F9NO5S/c1-29(45)13-15-43(16-14-29)28(44)20-17-30(18-20,49(46,47)24-11-9-23(34)10-12-24)21-5-7-22(8-6-21)31(32(37,38)39,33(40,41)42)48-19-25-26(35)3-2-4-27(25)36/h2-12,20,45H,13-19H2,1H3/t20-,30+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 38n/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