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Compile Data Set for Download or QSAR

Found 425 hits with Last Name = 'shah' and Initial = 'rr'   
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


(Homo sapiens (Human))
BDBM50544830
PNG
(CHEMBL4635876)
Show SMILES OCCn1cc(Nc2ncc(Cl)c(NCc3cc(F)ccc3F)n2)cn1
Show InChI InChI=1S/C16H15ClF2N6O/c17-13-8-21-16(23-12-7-22-25(9-12)3-4-26)24-15(13)20-6-10-5-11(18)1-2-14(10)19/h1-2,5,7-9,26H,3-4,6H2,(H2,20,21,23,24)
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n/an/a>0.158n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115326
BindingDB Entry DOI: 10.7270/Q2H70KD3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585514
PNG
(CHEMBL5086526)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@H]2CCCN(C)C2)c2nc(N)ncc2c1 |r|
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n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585527
PNG
(CHEMBL5084861)
Show SMILES COc1cc(cc2cnc(Nc3cnn(C)c3)nc12)-c1ccc(O)cc1
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n/an/a>0.158n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585515
PNG
(CHEMBL5076189)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(cc3cnc(N)nc13)-c1cc(F)c(O)cc1CC)N2 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50544831
PNG
(CHEMBL4634979)
Show SMILES COc1cc(ccc1OCCCN1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1
Show InChI InChI=1S/C33H36F2N4O5S/c1-42-32-20-23(6-7-31(32)44-13-3-8-38-9-14-43-15-10-38)30-21-36-29-5-2-4-25(33(29)37-30)24-18-27(34)26(28(35)19-24)22-39-11-16-45(40,41)17-12-39/h2,4-7,18-21H,3,8-17,22H2,1H3
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n/an/a 0.251n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115326
BindingDB Entry DOI: 10.7270/Q2H70KD3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50544830
PNG
(CHEMBL4635876)
Show SMILES OCCn1cc(Nc2ncc(Cl)c(NCc3cc(F)ccc3F)n2)cn1
Show InChI InChI=1S/C16H15ClF2N6O/c17-13-8-21-16(23-12-7-22-25(9-12)3-4-26)24-15(13)20-6-10-5-11(18)1-2-14(10)19/h1-2,5,7-9,26H,3-4,6H2,(H2,20,21,23,24)
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n/an/a 0.316n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115326
BindingDB Entry DOI: 10.7270/Q2H70KD3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585527
PNG
(CHEMBL5084861)
Show SMILES COc1cc(cc2cnc(Nc3cnn(C)c3)nc12)-c1ccc(O)cc1
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n/an/a 0.316n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585515
PNG
(CHEMBL5076189)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(cc3cnc(N)nc13)-c1cc(F)c(O)cc1CC)N2 |r|
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n/an/a 0.316n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585514
PNG
(CHEMBL5086526)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@H]2CCCN(C)C2)c2nc(N)ncc2c1 |r|
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n/an/a 0.398n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585519
PNG
(CHEMBL5075556)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCCCCN(C)C)ncc2c1 |r|
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n/an/a 0.501n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585505
PNG
(CHEMBL5078647)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(N)ncc2c1 |r|
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n/an/a 0.501n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585527
PNG
(CHEMBL5084861)
Show SMILES COc1cc(cc2cnc(Nc3cnn(C)c3)nc12)-c1ccc(O)cc1
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n/an/a 0.501n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585507
PNG
(CHEMBL5078141)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC[C@H](C)O)c2nc(N)ncc2c1 |r|
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n/an/a 0.501n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585519
PNG
(CHEMBL5075556)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCCCCN(C)C)ncc2c1 |r|
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n/an/a 0.501n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585519
PNG
(CHEMBL5075556)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCCCCN(C)C)ncc2c1 |r|
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n/an/a 0.631n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585516
PNG
(CHEMBL5075673)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)Nc1cc(cc3cnc(N)nc13)-c1cc(F)c(O)cc1CC)N2 |r|
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n/an/a 0.631n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585515
PNG
(CHEMBL5076189)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(cc3cnc(N)nc13)-c1cc(F)c(O)cc1CC)N2 |r|
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n/an/a 0.631n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585501
PNG
(CHEMBL5084542)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC2CCN(CC2)C(C)=O)c2nc(N)ncc2c1
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n/an/a 0.794n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585505
PNG
(CHEMBL5078647)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(N)ncc2c1 |r|
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n/an/a 0.794n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585501
PNG
(CHEMBL5084542)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC2CCN(CC2)C(C)=O)c2nc(N)ncc2c1
PDB

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n/an/a 0.794n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585501
PNG
(CHEMBL5084542)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC2CCN(CC2)C(C)=O)c2nc(N)ncc2c1
PDB

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n/an/a 0.794n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585505
PNG
(CHEMBL5078647)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(N)ncc2c1 |r|
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n/an/a 0.794n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585514
PNG
(CHEMBL5086526)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@H]2CCCN(C)C2)c2nc(N)ncc2c1 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50544830
PNG
(CHEMBL4635876)
Show SMILES OCCn1cc(Nc2ncc(Cl)c(NCc3cc(F)ccc3F)n2)cn1
Show InChI InChI=1S/C16H15ClF2N6O/c17-13-8-21-16(23-12-7-22-25(9-12)3-4-26)24-15(13)20-6-10-5-11(18)1-2-14(10)19/h1-2,5,7-9,26H,3-4,6H2,(H2,20,21,23,24)
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n/an/a 1n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115326
BindingDB Entry DOI: 10.7270/Q2H70KD3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585509
PNG
(CHEMBL5085176)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC(CO)CO)c2nc(N)ncc2c1
PDB

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TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585504
PNG
(CHEMBL5084340)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NCCCO)c2nc(N)ncc2c1
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TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585502
PNG
(CHEMBL5082928)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NCCO)c2nc(N)ncc2c1
PDB

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TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585507
PNG
(CHEMBL5078141)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC[C@H](C)O)c2nc(N)ncc2c1 |r|
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TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585508
PNG
(CHEMBL5079248)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC[C@@H](C)O)c2nc(N)ncc2c1 |r|
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TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585510
PNG
(CHEMBL5076068)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NCCNC)c2nc(N)ncc2c1
PDB

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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585511
PNG
(CHEMBL5077126)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC2CCN(C)CC2)c2nc(N)ncc2c1
PDB

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TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585507
PNG
(CHEMBL5078141)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC[C@H](C)O)c2nc(N)ncc2c1 |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585509
PNG
(CHEMBL5085176)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC(CO)CO)c2nc(N)ncc2c1
PDB

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TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585513
PNG
(CHEMBL5087255)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@@H]2CCCN(C)C2)c2nc(N)ncc2c1 |r|
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TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585516
PNG
(CHEMBL5075673)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)Nc1cc(cc3cnc(N)nc13)-c1cc(F)c(O)cc1CC)N2 |r|
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TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585509
PNG
(CHEMBL5085176)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC(CO)CO)c2nc(N)ncc2c1
PDB

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TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585518
PNG
(CHEMBL5094089)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCOCCN(C)C)ncc2c1 |r|
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TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585506
PNG
(CHEMBL5074310)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@H](C)CO)c2nc(N)ncc2c1 |r|
PDB

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TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585517
PNG
(CHEMBL5076101)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCCN(C)C)ncc2c1 |r|
PDB

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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585512
PNG
(CHEMBL5075223)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NCC2CCN(C)CC2)c2nc(N)ncc2c1
PDB

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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585508
PNG
(CHEMBL5079248)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC[C@@H](C)O)c2nc(N)ncc2c1 |r|
PDB

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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585500
PNG
(CHEMBL5077653)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(OC)c2nc(N)ncc2c1
PDB

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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585508
PNG
(CHEMBL5079248)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC[C@@H](C)O)c2nc(N)ncc2c1 |r|
PDB

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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585506
PNG
(CHEMBL5074310)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@H](C)CO)c2nc(N)ncc2c1 |r|
PDB

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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585511
PNG
(CHEMBL5077126)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC2CCN(C)CC2)c2nc(N)ncc2c1
PDB

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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50585527
PNG
(CHEMBL5084861)
Show SMILES COc1cc(cc2cnc(Nc3cnn(C)c3)nc12)-c1ccc(O)cc1
PDB

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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TYK2 (888 to 1178 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for 30 mins fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585518
PNG
(CHEMBL5094089)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCOCCN(C)C)ncc2c1 |r|
PDB

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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50585516
PNG
(CHEMBL5075673)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)Nc1cc(cc3cnc(N)nc13)-c1cc(F)c(O)cc1CC)N2 |r|
PDB

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TBA

Assay Description
Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50585503
PNG
(CHEMBL5084913)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N(C)CCO)c2nc(N)ncc2c1
PDB

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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607759
PNG
(CHEMBL5218813)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn[nH]c3)c2c1 |r,t:13|
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
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