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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 9989   
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 JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505110
PNG
(US11066406, Ex. 4)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NCCC#N |(2.71,-11.42,;2.71,-9.88,;4.05,-9.11,;5.38,-9.88,;5.54,-11.41,;7.05,-11.73,;7.82,-13.06,;9.36,-13.06,;10.13,-11.73,;11.63,-11.41,;11.8,-9.88,;10.39,-9.25,;9.36,-10.39,;7.82,-10.39,;6.79,-9.25,;7.11,-7.74,;5.96,-6.71,;6.28,-5.21,;7.75,-4.73,;8.07,-3.22,;9.53,-2.75,;11,-2.27,;8.89,-5.76,;8.57,-7.27,;1.38,-9.11,;.05,-9.88,;-1.29,-9.11,;-2.62,-9.88,;-3.96,-10.65,)|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505112
PNG
(US11066406, Ex. 6)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1(CC#N)CCCCC1)NCC1CCOCC1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505104
PNG
(US11066406, A)
Show SMILES Cc1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |(-3.94,3.43,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)|
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UniProtKB/SwissProt

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n/an/a<0.200n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505104
PNG
(US11066406, A)
Show SMILES Cc1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |(-3.94,3.43,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC sid
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n/an/a<0.200n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505113
PNG
(US11066406, Ex. 7)
Show SMILES CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)C#N |(12.86,2.75,;12.09,1.42,;11.32,.08,;10.75,2.19,;9.42,1.42,;8.08,2.19,;8.08,3.73,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;4.83,-.98,;4.51,-2.48,;3.05,-2.96,;2.73,-4.46,;1.26,-4.94,;-.2,-5.42,;1.91,-1.93,;2.23,-.42,;13.42,.65,;14.75,-.12,)|
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UniProtKB/SwissProt

GoogleScholar
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UniChem
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505109
PNG
(US11066406, Ex. 3)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NCC1CC1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;10.75,2.19,;12.09,1.42,;13.63,1.42,;12.86,.08,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505108
PNG
(US11066406, Ex. 2)
Show SMILES N#CCC1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1 |(5.02,-6.52,;3.87,-5.49,;2.73,-4.46,;3.05,-2.96,;4.51,-2.48,;4.83,-.98,;3.69,.06,;2.23,-.42,;1.91,-1.93,;4.01,1.56,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;6.75,1.42,;8.16,2.04,;9.19,.9,;8.42,-.43,;6.91,-.11,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505115
PNG
(US11066406, Ex. 9)
Show SMILES Cn1cc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2C2CCC(CC#N)CC2)cn1 |(14.72,2.54,;13.19,2.71,;12.16,1.56,;10.75,2.19,;9.42,1.42,;8.08,2.19,;8.08,3.73,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;10.91,3.72,;12.42,4.04,)|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505106
PNG
(US11066406, C)
Show SMILES C[C@H](O)c1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |r,wU:1.1,(-2.79,4.46,;-3.94,3.43,;-5.4,3.9,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505106
PNG
(US11066406, C)
Show SMILES C[C@H](O)c1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |r,wU:1.1,(-2.79,4.46,;-3.94,3.43,;-5.4,3.9,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)|
PDB

UniProtKB/SwissProt

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PC cid
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n/an/a<0.200n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505105
PNG
(US11066406, B)
Show SMILES OCc1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |(-5.4,3.9,;-3.94,3.43,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC sid
UniChem
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n/an/a<0.200n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505105
PNG
(US11066406, B)
Show SMILES OCc1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |(-5.4,3.9,;-3.94,3.43,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.200n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505105
PNG
(US11066406, B)
Show SMILES OCc1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |(-5.4,3.9,;-3.94,3.43,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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n/an/a<0.200n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505111
PNG
(US11066406, Ex. 5)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NC1CCOCC1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;9.42,-.12,;10.75,-.89,;10.75,-2.43,;9.42,-3.2,;8.08,-2.43,;8.08,-.89,)|
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UniProtKB/SwissProt

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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505117
PNG
(US11066406, Ex. 11)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)Nc1cc[nH]n1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;9.42,-.12,;8.17,-1.03,;8.65,-2.49,;10.19,-2.49,;10.66,-1.03,)|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505114
PNG
(US11066406, Ex. 8)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2C2CCC(CC#N)CC2)CCC1 |(5.21,6.04,;6.75,6.04,;6.75,4.5,;8.08,3.73,;8.08,2.19,;9.42,1.42,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;6.75,7.58,;8.29,7.58,;8.29,6.04,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505107
PNG
(US11066406, Ex. 1)
Show SMILES CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1 |(10.75,5.27,;10.75,3.73,;12.29,3.73,;9.21,3.73,;10.75,2.19,;9.42,1.42,;8.08,2.19,;8.08,3.73,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505106
PNG
(US11066406, C)
Show SMILES C[C@H](O)c1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |r,wU:1.1,(-2.79,4.46,;-3.94,3.43,;-5.4,3.9,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)|
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505104
PNG
(US11066406, A)
Show SMILES Cc1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |(-3.94,3.43,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)|
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505118
PNG
(US11066406, Ex. 12)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2C2CCC(CC#N)CC2)CC1 |(5.23,6.31,;6.75,6.04,;6.75,4.5,;8.08,3.73,;8.08,2.19,;9.42,1.42,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;7.28,7.48,;8.27,6.31,)|
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [574-1154]


(Homo sapiens (Human))
BDBM505116
PNG
(US11066406, Ex. 10)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;4.83,-.98,;4.51,-2.48,;3.05,-2.96,;2.73,-4.46,;1.26,-4.94,;-.2,-5.42,;1.91,-1.93,;2.23,-.42,;9.42,1.42,;10.75,2.19,;10.75,3.73,;12.09,4.5,;13.42,3.73,;14.75,4.5,;16.09,3.73,;17.42,2.96,;13.42,2.19,;12.09,1.42,;12.28,2.62,)|
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505108
PNG
(US11066406, Ex. 2)
Show SMILES N#CCC1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1 |(5.02,-6.52,;3.87,-5.49,;2.73,-4.46,;3.05,-2.96,;4.51,-2.48,;4.83,-.98,;3.69,.06,;2.23,-.42,;1.91,-1.93,;4.01,1.56,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;6.75,1.42,;8.16,2.04,;9.19,.9,;8.42,-.43,;6.91,-.11,)|
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505112
PNG
(US11066406, Ex. 6)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1(CC#N)CCCCC1)NCC1CCOCC1
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505112
PNG
(US11066406, Ex. 6)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1(CC#N)CCCCC1)NCC1CCOCC1
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Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505108
PNG
(US11066406, Ex. 2)
Show SMILES N#CCC1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1 |(5.02,-6.52,;3.87,-5.49,;2.73,-4.46,;3.05,-2.96,;4.51,-2.48,;4.83,-.98,;3.69,.06,;2.23,-.42,;1.91,-1.93,;4.01,1.56,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;6.75,1.42,;8.16,2.04,;9.19,.9,;8.42,-.43,;6.91,-.11,)|
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505117
PNG
(US11066406, Ex. 11)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)Nc1cc[nH]n1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;9.42,-.12,;8.17,-1.03,;8.65,-2.49,;10.19,-2.49,;10.66,-1.03,)|
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505117
PNG
(US11066406, Ex. 11)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)Nc1cc[nH]n1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;9.42,-.12,;8.17,-1.03,;8.65,-2.49,;10.19,-2.49,;10.66,-1.03,)|
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505111
PNG
(US11066406, Ex. 5)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NC1CCOCC1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;9.42,-.12,;10.75,-.89,;10.75,-2.43,;9.42,-3.2,;8.08,-2.43,;8.08,-.89,)|
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505110
PNG
(US11066406, Ex. 4)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NCCC#N |(2.71,-11.42,;2.71,-9.88,;4.05,-9.11,;5.38,-9.88,;5.54,-11.41,;7.05,-11.73,;7.82,-13.06,;9.36,-13.06,;10.13,-11.73,;11.63,-11.41,;11.8,-9.88,;10.39,-9.25,;9.36,-10.39,;7.82,-10.39,;6.79,-9.25,;7.11,-7.74,;5.96,-6.71,;6.28,-5.21,;7.75,-4.73,;8.07,-3.22,;9.53,-2.75,;11,-2.27,;8.89,-5.76,;8.57,-7.27,;1.38,-9.11,;.05,-9.88,;-1.29,-9.11,;-2.62,-9.88,;-3.96,-10.65,)|
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505111
PNG
(US11066406, Ex. 5)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NC1CCOCC1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;9.42,-.12,;10.75,-.89,;10.75,-2.43,;9.42,-3.2,;8.08,-2.43,;8.08,-.89,)|
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Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505115
PNG
(US11066406, Ex. 9)
Show SMILES Cn1cc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2C2CCC(CC#N)CC2)cn1 |(14.72,2.54,;13.19,2.71,;12.16,1.56,;10.75,2.19,;9.42,1.42,;8.08,2.19,;8.08,3.73,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;10.91,3.72,;12.42,4.04,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505113
PNG
(US11066406, Ex. 7)
Show SMILES CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)C#N |(12.86,2.75,;12.09,1.42,;11.32,.08,;10.75,2.19,;9.42,1.42,;8.08,2.19,;8.08,3.73,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;4.83,-.98,;4.51,-2.48,;3.05,-2.96,;2.73,-4.46,;1.26,-4.94,;-.2,-5.42,;1.91,-1.93,;2.23,-.42,;13.42,.65,;14.75,-.12,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505113
PNG
(US11066406, Ex. 7)
Show SMILES CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)C#N |(12.86,2.75,;12.09,1.42,;11.32,.08,;10.75,2.19,;9.42,1.42,;8.08,2.19,;8.08,3.73,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;4.83,-.98,;4.51,-2.48,;3.05,-2.96,;2.73,-4.46,;1.26,-4.94,;-.2,-5.42,;1.91,-1.93,;2.23,-.42,;13.42,.65,;14.75,-.12,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505109
PNG
(US11066406, Ex. 3)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NCC1CC1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;10.75,2.19,;12.09,1.42,;13.63,1.42,;12.86,.08,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505116
PNG
(US11066406, Ex. 10)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;4.83,-.98,;4.51,-2.48,;3.05,-2.96,;2.73,-4.46,;1.26,-4.94,;-.2,-5.42,;1.91,-1.93,;2.23,-.42,;9.42,1.42,;10.75,2.19,;10.75,3.73,;12.09,4.5,;13.42,3.73,;14.75,4.5,;16.09,3.73,;17.42,2.96,;13.42,2.19,;12.09,1.42,;12.28,2.62,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505110
PNG
(US11066406, Ex. 4)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NCCC#N |(2.71,-11.42,;2.71,-9.88,;4.05,-9.11,;5.38,-9.88,;5.54,-11.41,;7.05,-11.73,;7.82,-13.06,;9.36,-13.06,;10.13,-11.73,;11.63,-11.41,;11.8,-9.88,;10.39,-9.25,;9.36,-10.39,;7.82,-10.39,;6.79,-9.25,;7.11,-7.74,;5.96,-6.71,;6.28,-5.21,;7.75,-4.73,;8.07,-3.22,;9.53,-2.75,;11,-2.27,;8.89,-5.76,;8.57,-7.27,;1.38,-9.11,;.05,-9.88,;-1.29,-9.11,;-2.62,-9.88,;-3.96,-10.65,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505115
PNG
(US11066406, Ex. 9)
Show SMILES Cn1cc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2C2CCC(CC#N)CC2)cn1 |(14.72,2.54,;13.19,2.71,;12.16,1.56,;10.75,2.19,;9.42,1.42,;8.08,2.19,;8.08,3.73,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;10.91,3.72,;12.42,4.04,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505114
PNG
(US11066406, Ex. 8)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2C2CCC(CC#N)CC2)CCC1 |(5.21,6.04,;6.75,6.04,;6.75,4.5,;8.08,3.73,;8.08,2.19,;9.42,1.42,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;6.75,7.58,;8.29,7.58,;8.29,6.04,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505114
PNG
(US11066406, Ex. 8)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2C2CCC(CC#N)CC2)CCC1 |(5.21,6.04,;6.75,6.04,;6.75,4.5,;8.08,3.73,;8.08,2.19,;9.42,1.42,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;6.75,7.58,;8.29,7.58,;8.29,6.04,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505107
PNG
(US11066406, Ex. 1)
Show SMILES CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1 |(10.75,5.27,;10.75,3.73,;12.29,3.73,;9.21,3.73,;10.75,2.19,;9.42,1.42,;8.08,2.19,;8.08,3.73,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505107
PNG
(US11066406, Ex. 1)
Show SMILES CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1 |(10.75,5.27,;10.75,3.73,;12.29,3.73,;9.21,3.73,;10.75,2.19,;9.42,1.42,;8.08,2.19,;8.08,3.73,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505118
PNG
(US11066406, Ex. 12)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2C2CCC(CC#N)CC2)CC1 |(5.23,6.31,;6.75,6.04,;6.75,4.5,;8.08,3.73,;8.08,2.19,;9.42,1.42,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;7.28,7.48,;8.27,6.31,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505116
PNG
(US11066406, Ex. 10)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;4.83,-.98,;4.51,-2.48,;3.05,-2.96,;2.73,-4.46,;1.26,-4.94,;-.2,-5.42,;1.91,-1.93,;2.23,-.42,;9.42,1.42,;10.75,2.19,;10.75,3.73,;12.09,4.5,;13.42,3.73,;14.75,4.5,;16.09,3.73,;17.42,2.96,;13.42,2.19,;12.09,1.42,;12.28,2.62,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [532-1132]


(Homo sapiens (Human))
BDBM505118
PNG
(US11066406, Ex. 12)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2C2CCC(CC#N)CC2)CC1 |(5.23,6.31,;6.75,6.04,;6.75,4.5,;8.08,3.73,;8.08,2.19,;9.42,1.42,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;7.28,7.48,;8.27,6.31,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182]


(Homo sapiens (Human))
BDBM505109
PNG
(US11066406, Ex. 3)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NCC1CC1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;10.75,2.19,;12.09,1.42,;13.63,1.42,;12.86,.08,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124]


(Homo sapiens (Human))
BDBM505104
PNG
(US11066406, A)
Show SMILES Cc1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |(-3.94,3.43,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)|
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n/an/a 12.4n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124]


(Homo sapiens (Human))
BDBM505105
PNG
(US11066406, B)
Show SMILES OCc1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |(-5.4,3.9,;-3.94,3.43,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)|
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TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124]


(Homo sapiens (Human))
BDBM505111
PNG
(US11066406, Ex. 5)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NC1CCOCC1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;9.42,-.12,;10.75,-.89,;10.75,-2.43,;9.42,-3.2,;8.08,-2.43,;8.08,-.89,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23.1n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124]


(Homo sapiens (Human))
BDBM505112
PNG
(US11066406, Ex. 6)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1(CC#N)CCCCC1)NCC1CCOCC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 28.2n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124]


(Homo sapiens (Human))
BDBM505117
PNG
(US11066406, Ex. 11)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)Nc1cc[nH]n1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;9.42,-.12,;8.17,-1.03,;8.65,-2.49,;10.19,-2.49,;10.66,-1.03,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30.3n/an/an/an/an/an/a


TBA

Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G4J
More data for this
Ligand-Target Pair
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