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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-17A' and Ligand = 'BDBM419148'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-17A


(Homo sapiens (Human))
BDBM419148
PNG
(N-(4-ethylphenyl)-N- isobutyl-4-(tetrahydropyran- ...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(cc1)S(=O)CC1CCOCC1
Show InChI InChI=1S/C24H33NO4S2/c1-4-20-5-7-22(8-6-20)25(17-19(2)3)31(27,28)24-11-9-23(10-12-24)30(26)18-21-13-15-29-16-14-21/h5-12,19,21H,4,13-18H2,1-3H3
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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
Interleukin-17A


(Homo sapiens (Human))
BDBM419148
PNG
(N-(4-ethylphenyl)-N- isobutyl-4-(tetrahydropyran- ...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(cc1)S(=O)CC1CCOCC1
Show InChI InChI=1S/C24H33NO4S2/c1-4-20-5-7-22(8-6-20)25(17-19(2)3)31(27,28)24-11-9-23(10-12-24)30(26)18-21-13-15-29-16-14-21/h5-12,19,21H,4,13-18H2,1-3H3
PDB

Reactome pathway

UniProtKB/SwissProt

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