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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM475631'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM475631
PNG
(US10851102, Example 24 | US11339160, Ex No. 24)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(OCC2CN(C2)C(=O)\C=C\CN(C)C)c2cncn2c1
Show InChI InChI=1S/C25H29FN4O3/c1-4-18-8-23(31)21(26)10-20(18)19-9-24(22-11-27-16-30(22)14-19)33-15-17-12-29(13-17)25(32)6-5-7-28(2)3/h5-6,8-11,14,16-17,31H,4,7,12-13,15H2,1-3H3/b6-5+
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US Patent
<0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CF9T9W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM475631
PNG
(US10851102, Example 24 | US11339160, Ex No. 24)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(OCC2CN(C2)C(=O)\C=C\CN(C)C)c2cncn2c1
Show InChI InChI=1S/C25H29FN4O3/c1-4-18-8-23(31)21(26)10-20(18)19-9-24(22-11-27-16-30(22)14-19)33-15-17-12-29(13-17)25(32)6-5-7-28(2)3/h5-6,8-11,14,16-17,31H,4,7,12-13,15H2,1-3H3/b6-5+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent




US Patent US10851102 (2020)


BindingDB Entry DOI: 10.7270/Q2N87DV3
More data for this
Ligand-Target Pair