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Compile Data Set for Download or QSAR

Found 994 hits Enz. Inhib. hit(s) with all data for entry = 11341   
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))
BDBM608550
PNG
(US11697648, Example 119)
Show SMILES FC(F)(F)CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608485
PNG
(US11697648, Example 69)
Show SMILES CS(=O)(=O)Nc1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608503
PNG
(US11697648, Example 85)
Show SMILES C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(CN5CCSCC5)c4)ncc3ccc2=O)C1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608506
PNG
(US11697648, Example 88)
Show SMILES CCN(CC)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608509
PNG
(US11697648, Example 91)
Show SMILES CN(C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608511
PNG
(US11697648, Example 93)
Show SMILES CNC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608525
PNG
(US11697648, Example 94)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608526
PNG
(US11697648, Example 95)
Show SMILES CN(C)C(=S)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608527
PNG
(US11697648, Example 96)
Show SMILES CNS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608529
PNG
(US11697648, Example 98)
Show SMILES CC(C)(C)SC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608530
PNG
(US11697648, Example 99)
Show SMILES COCCOC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608531
PNG
(US11697648, Example 100)
Show SMILES CC(C)OC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608532
PNG
(US11697648, Example 101)
Show SMILES C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)N4CCN(CC4)S(=O)(=O)CC#N)ncc3ccc2=O)C1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608533
PNG
(US11697648, Example 102)
Show SMILES C=CC(=O)N1CC(CCn2c3nc(Nc4ccc(cc4)N4CCN(CC4)S(=O)(=O)C4COC4)ncc3ccc2=O)C1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608534
PNG
(US11697648, Example 103)
Show SMILES CC(C)CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608535
PNG
(US11697648, Example 104)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608536
PNG
(US11697648, Example 105)
Show SMILES C[C@@H](O)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608537
PNG
(US11697648, Example 106)
Show SMILES C[C@H](O)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608541
PNG
(US11697648, Example 110)
Show SMILES CSCCC(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608543
PNG
(US11697648, Example 112)
Show SMILES COCC(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608545
PNG
(US11697648, Example 114)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608548
PNG
(US11697648, Example 117)
Show SMILES CCOCCN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608423
PNG
(US11697648, Example 18)
Show SMILES C=CC(=O)N1CC(CCn2c3nc(Nc4ccccc4)ncc3ccc2=O)C1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608438
PNG
(US11697648, Example 30)
Show SMILES C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(C)c3)ncc2ccc1=O)C(=O)C=C |r|
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608672
PNG
(US11697648, Example 240)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608442
PNG
(US11697648, Example 33)
Show SMILES Cn1cc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4(C)C)C(=O)C=C)c3n2)cn1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608685
PNG
(US11697648, Example 253)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1 |r|
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608620
PNG
(US11697648, Example 189)
Show SMILES CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O)C(=O)C=C |r|
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608621
PNG
(US11697648, Example 190)
Show SMILES CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)C(=O)OC)ncc2ccc1=O)C(=O)C=C |r|
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608622
PNG
(US11697648, Example 191)
Show SMILES CC[C@H]1CN(CCN1CCn1c2nc(Nc3ccc(cc3)N3CCN(CC3)S(=O)(=O)CCOC)ncc2ccc1=O)C(=O)C=C |r|
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608635
PNG
(US11697648, Example 204)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608637
PNG
(US11697648, Example 206)
Show SMILES CCC(C)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608641
PNG
(US11697648, Example 210)
Show SMILES CSCC(=O)N1CCC(CC1)n1cc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cn1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608642
PNG
(US11697648, Example 211)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608643
PNG
(US11697648, Example 212)
Show SMILES CC(C)CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608644
PNG
(US11697648, Example 213)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCN4CCN(CC4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM250092
PNG
(US10501411, Example 2 | US11697648, Example 2 | US...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H20Cl2N4O/c1-23-8-10-24(11-9-23)15-5-2-13(3-6-15)21-18(25)22-14-4-7-16(19)17(20)12-14/h2-7,12H,8-11H2,1H3,(H2,21,22,25)
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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608407
PNG
(US11697648, Example 3)
Show SMILES CSCCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608409
PNG
(US11697648, Example 5)
Show SMILES CN(C)C(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608414
PNG
(US11697648, Example 10)
Show SMILES C[C@@H]1CN(CCN1c1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1)C(C)=O |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608655
PNG
(US11697648, Example 223)
Show SMILES OCCOc1ccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)cc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608664
PNG
(US11697648, Example 232)
Show SMILES C[C@H]1CN(CCN1CCn1c2nc(Nc3cnn(CC(F)F)c3)ncc2ccc1=O)C(=O)C=C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608555
PNG
(US11697648, Example 124)
Show SMILES CN(C)C(=O)N1CCN(CC1)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608556
PNG
(US11697648, Example 125)
Show SMILES C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(CN5CCN(CC5)S(=O)(=O)CC#N)c4)ncc3ccc2=O)C1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608557
PNG
(US11697648, Example 126)
Show SMILES C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(CN5CCN(CC5)S(=O)(=O)C5COC5)c4)ncc3ccc2=O)C1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608558
PNG
(US11697648, Example 127)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cccc(Nc2ncc3ccc(=O)n(CCC4CN(C4)C(=O)C=C)c3n2)c1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608559
PNG
(US11697648, Example 128)
Show SMILES C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(c4)N4CCN(CC4)S(=O)(=O)CC#N)ncc3ccc2=O)C1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608560
PNG
(US11697648, Example 129)
Show SMILES C=CC(=O)N1CC(CCn2c3nc(Nc4cccc(c4)N4CCN(CC4)S(=O)(=O)C4COC4)ncc3ccc2=O)C1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608563
PNG
(US11697648, Example 132)
Show SMILES COCCS(=O)(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM608564
PNG
(US11697648, Example 133)
Show SMILES CC(=O)N1CCN(Cc2cccc(Nc3ncc4ccc(=O)n(CCC5CN(C5)C(=O)C=C)c4n3)c2)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7MDT
More data for this
Ligand-Target Pair
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