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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 = 'BDBM139692'   
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))
BDBM139692
PNG
(US8895544, 2 | US8895544, 3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccsn1
Show InChI InChI=1S/C25H21FN6O2S/c1-2-13-10-22(33)17(26)11-16(13)14-3-4-15-20(9-14)29-30-23(15)24-27-18-5-7-32(12-21(18)28-24)25(34)19-6-8-35-31-19/h3-4,6,8-11,33H,2,5,7,12H2,1H3,(H,27,28)(H,29,30)
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PC cid
PC sid
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Similars

US Patent
n/an/a 0.5n/an/an/an/a7.525



Pfizer Limited

US Patent


Assay Description
JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...


US Patent US8895544 (2014)


BindingDB Entry DOI: 10.7270/Q2S46QNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM139692
PNG
(US8895544, 2 | US8895544, 3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccsn1
Show InChI InChI=1S/C25H21FN6O2S/c1-2-13-10-22(33)17(26)11-16(13)14-3-4-15-20(9-14)29-30-23(15)24-27-18-5-7-32(12-21(18)28-24)25(34)19-6-8-35-31-19/h3-4,6,8-11,33H,2,5,7,12H2,1H3,(H,27,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/a7.525



Pfizer Limited

US Patent


Assay Description
JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...


US Patent US8895544 (2014)


BindingDB Entry DOI: 10.7270/Q2S46QNM
More data for this
Ligand-Target Pair