BindingDB logo
myBDB logout

BDBM382806 US10273259, Example 517::US10711020, Example 517

SMILES: Fc1cccc(c1)S(=O)(=O)C12CCN(C1CNc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1CCS(=O)(=O)CC1

InChI Key: InChIKey=SRKHSAMWTXLEMM-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 382806   
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))
BDBM382806
PNG
(US10273259, Example 517 | US10711020, Example 517)
Show SMILES Fc1cccc(c1)S(=O)(=O)C12CCN(C1CNc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C26H24F8N2O5S2/c27-17-2-1-3-18(13-17)43(40,41)23-8-9-36(22(37)15-6-10-42(38,39)11-7-15)21(23)14-35-20-12-16(4-5-19(20)23)24(28,25(29,30)31)26(32,33)34/h1-5,12-13,15,21,35H,6-11,14H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/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 scintillat...


US Patent US10711020 (2020)

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


(Mus musculus)
BDBM382806
PNG
(US10273259, Example 517 | US10711020, Example 517)
Show SMILES Fc1cccc(c1)S(=O)(=O)C12CCN(C1CNc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C26H24F8N2O5S2/c27-17-2-1-3-18(13-17)43(40,41)23-8-9-36(22(37)15-6-10-42(38,39)11-7-15)21(23)14-35-20-12-16(4-5-19(20)23)24(28,25(29,30)31)26(32,33)34/h1-5,12-13,15,21,35H,6-11,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a



IRBM/Merck



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


Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2MW2KG7
More data for this
Ligand-Target Pair