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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM305805'   
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))
BDBM305805
PNG
(2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1
Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3
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PC sid
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...


US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM305805
PNG
(2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1
Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43XB7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM305805
PNG
(2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1
Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...


US Patent US10822341 (2020)


BindingDB Entry DOI: 10.7270/Q2G163XX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM305805
PNG
(2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1
Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3
PDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...


US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair