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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 = 'BDBM141473'   
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))
BDBM141473
PNG
(US8921368, 192)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccnc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C21H26N6O/c1-20(2)17(6-7-21(20,3)23)26-18-15(19(22)28)11-25-27-12-14(9-16(18)27)13-5-4-8-24-10-13/h4-5,8-12,17,26H,6-7,23H2,1-3H3,(H2,22,28)/t17-,21+/m1/s1
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US Patent
n/an/a 0.5n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...


US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM141473
PNG
(US8921368, 192)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccnc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C21H26N6O/c1-20(2)17(6-7-21(20,3)23)26-18-15(19(22)28)11-25-27-12-14(9-16(18)27)13-5-4-8-24-10-13/h4-5,8-12,17,26H,6-7,23H2,1-3H3,(H2,22,28)/t17-,21+/m1/s1
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Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair