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Compile Data Set for Download or QSAR

Found 978 hits Enz. Inhib. hit(s) with all data for entry = 11905   
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 JAK2


(Homo sapiens (Human))
BDBM658961
PNG
(US20240092758, Example 78)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC(=O)NC)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658963
PNG
(US20240092758, Example 80)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCS(=O)(=O)NC)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658964
PNG
(US20240092758, Example 81)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCSC)CC1 |t:28|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658970
PNG
(US20240092758, Example 87)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCS(C)(=O)=O)C1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658971
PNG
(US20240092758, Example 88)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CC(=O)NC)C1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658972
PNG
(US20240092758, Example 89)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCS(=O)(=O)NC)C1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658976
PNG
(US20240092758, Example 93)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CC(=O)NC)C1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658977
PNG
(US20240092758, Example 94)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)C1CCNC1=O |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM658978
PNG
(US20240092758, Example 95)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCC(=O)NC)C1 |t:27|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658978
PNG
(US20240092758, Example 95)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCC(=O)NC)C1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658979
PNG
(US20240092758, Example 96)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCS(=O)(=O)NC)C1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658980
PNG
(US20240092758, Example 97)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC(=O)NC)C1 |t:28|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658981
PNG
(US20240092758, Example 98)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)C1CCNC1=O |t:28|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM658982
PNG
(US20240092758, Example 99)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNS(C)(=O)=O)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658982
PNG
(US20240092758, Example 99)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNS(C)(=O)=O)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM658983
PNG
(US20240092758, Example 100)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNC(C)=O)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658983
PNG
(US20240092758, Example 100)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNC(C)=O)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658984
PNG
(US20240092758, Example 101)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNS(=O)(=O)C(C)C)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM658985
PNG
(US20240092758, Example 102)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNC(=O)C(C)C)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658985
PNG
(US20240092758, Example 102)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNC(=O)C(C)C)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM658986
PNG
(US20240092758, Example 103)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNS(C)(=O)=O)CC1 |t:27|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658986
PNG
(US20240092758, Example 103)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNS(C)(=O)=O)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM658987
PNG
(US20240092758, Example 104)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNC(C)=O)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658987
PNG
(US20240092758, Example 104)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNC(C)=O)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM658988
PNG
(US20240092758, Example 105)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNS(=O)(=O)C(C)C)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658988
PNG
(US20240092758, Example 105)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNS(=O)(=O)C(C)C)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658989
PNG
(US20240092758, Example 106)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNS(C)(=O)=O)CC1 |t:28|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM658990
PNG
(US20240092758, Example 107)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNC(C)=O)CC1 |t:28|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658990
PNG
(US20240092758, Example 107)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNC(C)=O)CC1 |t:28|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658991
PNG
(US20240092758, Example 108)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCNS(C)(=O)=O)C1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658996
PNG
(US20240092758, Example 113)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNS(C)(=O)=O)C1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM658997
PNG
(US20240092758, Example 114)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNC(C)=O)C1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658997
PNG
(US20240092758, Example 114)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCNC(C)=O)C1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658998
PNG
(US20240092758, Example 115)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNS(C)(=O)=O)C1 |t:28|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658999
PNG
(US20240092758, Example 116)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CCNC(C)=O)C1 |t:28|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM659000
PNG
(US20240092758, Example 117)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNC(=O)C(C)C)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM659000
PNG
(US20240092758, Example 117)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCCNC(=O)C(C)C)CC1 |t:27|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM659001
PNG
(US20240092758, Example 118)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCN2CCNC2=O)CC1 |t:27|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM659001
PNG
(US20240092758, Example 118)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(CCN2CCNC2=O)CC1 |t:27|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM659004
PNG
(US20240092758, Example 121)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C1CCC(O)CC1 |t:28,(-3.46,.91,;-4.79,1.68,;-6.13,.91,;-7.46,1.68,;-8.8,.91,;-10.13,1.68,;-8.8,-.63,;-7.46,-1.4,;-6.13,-.63,;-4.79,-1.4,;-3.46,-.63,;-2.13,-1.4,;-2.13,-2.94,;-.98,-3.97,;-1.61,-5.38,;-3.14,-5.22,;-3.46,-3.71,;-4.79,-2.94,;-6.13,-3.71,;.52,-3.65,;1.15,-2.25,;2.68,-2.41,;3,-3.91,;1.67,-4.68,;3.71,-1.26,;5.22,-1.58,;6.25,-.44,;5.77,1.03,;4.27,1.35,;3.24,.2,;6.86,2.11,;8.35,1.72,;9.44,2.8,;9.04,4.29,;10.13,5.38,;7.55,4.69,;6.46,3.6,)|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM659007
PNG
(US20240092758, Example 124)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCN2CCNC2=O)C1 |t:27|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM659007
PNG
(US20240092758, Example 124)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCCN(CCN2CCNC2=O)C1 |t:27|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM659011
PNG
(US20240092758, Example 128)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,t:27,(-1.66,.04,;-3,.81,;-4.33,.04,;-5.66,.81,;-7,.04,;-8.33,.81,;-7,-1.5,;-5.66,-2.27,;-4.33,-1.5,;-3,-2.27,;-1.66,-1.5,;-.33,-2.27,;-.33,-3.81,;.81,-4.84,;.19,-6.25,;-1.34,-6.09,;-1.66,-4.58,;-3,-3.81,;2.32,-4.52,;2.95,-3.12,;4.48,-3.28,;4.8,-4.78,;3.47,-5.55,;5.51,-2.13,;7.04,-2.29,;7.67,-.89,;6.52,.14,;5.19,-.63,;6.68,1.68,;5.47,2.63,;5.69,4.15,;7.12,4.72,;7.34,6.25,;8.33,3.77,;8.11,2.25,)|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM659011
PNG
(US20240092758, Example 128)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,t:27,(-1.66,.04,;-3,.81,;-4.33,.04,;-5.66,.81,;-7,.04,;-8.33,.81,;-7,-1.5,;-5.66,-2.27,;-4.33,-1.5,;-3,-2.27,;-1.66,-1.5,;-.33,-2.27,;-.33,-3.81,;.81,-4.84,;.19,-6.25,;-1.34,-6.09,;-1.66,-4.58,;-3,-3.81,;2.32,-4.52,;2.95,-3.12,;4.48,-3.28,;4.8,-4.78,;3.47,-5.55,;5.51,-2.13,;7.04,-2.29,;7.67,-.89,;6.52,.14,;5.19,-.63,;6.68,1.68,;5.47,2.63,;5.69,4.15,;7.12,4.72,;7.34,6.25,;8.33,3.77,;8.11,2.25,)|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM659012
PNG
(US20240092758, Example 129)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)[C@@H]1CC[C@H](O)CC1 |r,wU:29.33,32.37,t:28,(-1.66,.04,;-3,.81,;-4.33,.04,;-5.66,.81,;-7,.04,;-8.33,.81,;-7,-1.5,;-5.66,-2.27,;-4.33,-1.5,;-3,-2.27,;-1.66,-1.5,;-.33,-2.27,;-.33,-3.81,;.81,-4.84,;.19,-6.25,;-1.34,-6.09,;-1.66,-4.58,;-3,-3.81,;-4.33,-4.58,;2.32,-4.52,;2.95,-3.12,;4.48,-3.28,;4.8,-4.78,;3.47,-5.55,;5.51,-2.13,;7.04,-2.29,;7.67,-.89,;6.52,.14,;5.19,-.63,;6.68,1.68,;8.11,2.25,;8.33,3.77,;7.12,4.72,;7.34,6.25,;5.69,4.15,;5.47,2.63,)|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM659012
PNG
(US20240092758, Example 129)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C1)[C@@H]1CC[C@H](O)CC1 |r,wU:29.33,32.37,t:28,(-1.66,.04,;-3,.81,;-4.33,.04,;-5.66,.81,;-7,.04,;-8.33,.81,;-7,-1.5,;-5.66,-2.27,;-4.33,-1.5,;-3,-2.27,;-1.66,-1.5,;-.33,-2.27,;-.33,-3.81,;.81,-4.84,;.19,-6.25,;-1.34,-6.09,;-1.66,-4.58,;-3,-3.81,;-4.33,-4.58,;2.32,-4.52,;2.95,-3.12,;4.48,-3.28,;4.8,-4.78,;3.47,-5.55,;5.51,-2.13,;7.04,-2.29,;7.67,-.89,;6.52,.14,;5.19,-.63,;6.68,1.68,;8.11,2.25,;8.33,3.77,;7.12,4.72,;7.34,6.25,;5.69,4.15,;5.47,2.63,)|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM658904
PNG
(US20240092758, Example 21)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C)CC1 |t:28|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658904
PNG
(US20240092758, Example 21)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(C)CC1 |t:28|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658905
PNG
(US20240092758, Example 22)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1F)-c1nc(c[nH]1)C1=CCN(CC1)C(C)C |t:28|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM658907
PNG
(US20240092758, Example 24)
Show SMILES CCCN1CCC(=CC1)c1c[nH]c(n1)-c1n[nH]c2c(F)c(ccc12)-c1ccc(O)cc1CC |c:6|
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Ligand-Target Pair
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