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BDBM419160 N-(4-ethylphenyl)-N- isobutyl-3-methylsulfanyl-4- (tetrahydropyran-4- ylmethoxy)benzene- sulfonamide::US10457637, Compound 25

SMILES: CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(SC)c1

InChI Key: InChIKey=RYXBKDXGNAYCOV-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 419160   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-17A


(Homo sapiens (Human))
BDBM419160
PNG
(N-(4-ethylphenyl)-N- isobutyl-3-methylsulfanyl-4- ...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(SC)c1
Show InChI InChI=1S/C25H35NO4S2/c1-5-20-6-8-22(9-7-20)26(17-19(2)3)32(27,28)23-10-11-24(25(16-23)31-4)30-18-21-12-14-29-15-13-21/h6-11,16,19,21H,5,12-15,17-18H2,1-4H3
PDB

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM419160
PNG
(N-(4-ethylphenyl)-N- isobutyl-3-methylsulfanyl-4- ...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(SC)c1
Show InChI InChI=1S/C25H35NO4S2/c1-5-20-6-8-22(9-7-20)26(17-19(2)3)32(27,28)23-10-11-24(25(16-23)31-4)30-18-21-12-14-29-15-13-21/h6-11,16,19,21H,5,12-15,17-18H2,1-4H3
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The RORγ transactivation model was developed from the line HG5LN, which is a HeLa line that stably expresses a luciferase reporter gene controll...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair