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BDBM305824 (1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)-3-(cyanomethyl)cyclobutane-1-carbonitrile::US10144738, Example 23::US10822341, Example 23

SMILES: Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N

InChI Key: InChIKey=HKTJARAZYORKAF-UWELNFAVSA-N

Data: 12 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 305824   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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n/an/a 9n/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 JAK1


(Homo sapiens (Human))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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n/an/a 431n/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 JAK2


(Homo sapiens (Human))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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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))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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n/an/a 9.41E+3n/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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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n/an/a 9n/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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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n/an/a 9.41E+3n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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n/an/a 26n/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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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n/an/a 9.41E+3n/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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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n/an/a 9n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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n/an/a 431n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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US Patent
n/an/a 26n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 431n/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