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SMILES: CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1

InChI Key:

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 = 305831   
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))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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n/an/a 7n/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))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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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 JAK2


(Homo sapiens (Human))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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n/an/a 71n/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))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
PDB

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n/an/a 7n/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))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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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)

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


(Homo sapiens (Human))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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n/an/a 71n/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))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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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/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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n/an/a 7n/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))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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n/an/a 174n/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))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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n/an/a 71n/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))
BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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n/an/a 174n/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