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Compile Data Set for Download or QSAR

Found 312 hits with Last Name = 'lewell' and Initial = 'x'   
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
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50160917
PNG
(3-(3-(2-(benzyloxy)-5-chlorophenyl)thiophen-2-yl)b...)
Show SMILES OC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C24H17ClO3S/c25-19-9-10-22(28-15-16-5-2-1-3-6-16)21(14-19)20-11-12-29-23(20)17-7-4-8-18(13-17)24(26)27/h1-14H,15H2,(H,26,27)
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Article
PubMed
0.300n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PGE2 activated EP1 receptor assessed as ability to inhibit intracellular calcium mobilisation by FLIPR


Bioorg Med Chem Lett 16: 2666-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50515378
PNG
(CHEMBL4443947)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCOCCOCCOCC#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC)c(cc12)C(N)=O |r|
Show InChI InChI=1S/C53H70N8O11/c1-33(55-2)50(65)60-48(35-12-5-4-6-13-35)53(67)61-31-38(27-44(61)51(66)59-43-17-9-14-34-11-7-8-16-39(34)43)58-47(63)20-22-70-24-26-71-25-23-69-21-10-15-36-30-56-52(72-32-37-18-19-46(62)57-37)41-29-45(68-3)42(49(54)64)28-40(36)41/h7-8,11,16,28-30,33,35,37-38,43-44,48,55H,4-6,9,12-14,17-27,31-32H2,1-3H3,(H2,54,64)(H,57,62)(H,58,63)(H,59,66)(H,60,65)/t33-,37-,38-,43+,44-,48-/m0/s1
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n/an/a 0.0220n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay


ACS Med Chem Lett 10: 1081-1085 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00219
BindingDB Entry DOI: 10.7270/Q2RF5ZCB
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50515375
PNG
(CHEMBL4448950)
Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c2cc1C(N)=O |r|
Show InChI InChI=1S/C51H65N7O8S/c1-32-45(67-31-55-32)34-20-18-33(19-21-34)27-53-48(63)41-24-37(59)29-58(41)50(64)46(51(2,3)4)57-43(60)17-15-13-11-9-7-6-8-10-12-14-16-35-28-54-49(66-30-36-22-23-44(61)56-36)39-26-42(65-5)40(47(52)62)25-38(35)39/h18-21,25-26,28,31,36-37,41,46,59H,6-13,15,17,22-24,27,29-30H2,1-5H3,(H2,52,62)(H,53,63)(H,56,61)(H,57,60)/t36-,37+,41-,46+/m0/s1
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n/an/a 0.0990n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay


ACS Med Chem Lett 10: 1081-1085 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00219
BindingDB Entry DOI: 10.7270/Q2RF5ZCB
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50515377
PNG
(CHEMBL4524299)
Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c2cc1C(N)=O |r|
Show InChI InChI=1S/C48H59N7O11S/c1-29-42(67-28-52-29)31-10-8-30(9-11-31)24-50-45(60)38-21-34(56)26-55(38)47(61)43(48(2,3)4)54-41(58)14-16-64-18-20-65-19-17-63-15-6-7-32-25-51-46(66-27-33-12-13-40(57)53-33)36-23-39(62-5)37(44(49)59)22-35(32)36/h8-11,22-23,25,28,33-34,38,43,56H,12-21,24,26-27H2,1-5H3,(H2,49,59)(H,50,60)(H,53,57)(H,54,58)/t33-,34+,38-,43+/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay


ACS Med Chem Lett 10: 1081-1085 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00219
BindingDB Entry DOI: 10.7270/Q2RF5ZCB
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 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))
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))
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 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 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 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 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 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
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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 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 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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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))
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 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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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))
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))
BDBM50585502
PNG
(CHEMBL5082928)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NCCO)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))
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))
BDBM50585504
PNG
(CHEMBL5084340)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NCCCO)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))
BDBM50585510
PNG
(CHEMBL5076068)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NCCNC)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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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))
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 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))
BDBM50585506
PNG
(CHEMBL5074310)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@H](C)CO)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))
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))
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 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))
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50515374
PNG
(CHEMBL4536517)
Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(Br)c2cc1C(N)=O |r|
Show InChI InChI=1S/C16H16BrN3O4/c1-23-13-5-10-9(4-11(13)15(18)22)12(17)6-19-16(10)24-7-8-2-3-14(21)20-8/h4-6,8H,2-3,7H2,1H3,(H2,18,22)(H,20,21)/t8-/m0/s1
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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay


ACS Med Chem Lett 10: 1081-1085 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00219
BindingDB Entry DOI: 10.7270/Q2RF5ZCB
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|
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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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50515376
PNG
(CHEMBL4445579)
Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCCCCCCCCCCOc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2cc1C(N)=O |r|
Show InChI InChI=1S/C41H45N5O9/c1-53-33-22-29-28(21-30(33)37(42)49)25(23-43-39(29)55-24-26-16-18-34(47)44-26)13-10-8-6-4-2-3-5-7-9-11-20-54-32-15-12-14-27-36(32)41(52)46(40(27)51)31-17-19-35(48)45-38(31)50/h12,14-15,21-23,26,31H,2-9,11,16-20,24H2,1H3,(H2,42,49)(H,44,47)(H,45,48,50)/t26-,31?/m0/s1
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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay


ACS Med Chem Lett 10: 1081-1085 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00219
BindingDB Entry DOI: 10.7270/Q2RF5ZCB
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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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|
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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 JAK2


(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-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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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
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50197898
PNG
(6-(2-(2-(2,4-difluorobenzyloxy)-5-chlorophenyl)cyc...)
Show SMILES OC(=O)c1cccc(n1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccc(F)cc1F |t:10|
Show InChI InChI=1S/C24H18ClF2NO3/c25-15-8-10-23(31-13-14-7-9-16(26)12-20(14)27)19(11-15)17-3-1-4-18(17)21-5-2-6-22(28-21)24(29)30/h2,5-12H,1,3-4,13H2,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from EP1 receptor


Bioorg Med Chem Lett 18: 1592-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.071
BindingDB Entry DOI: 10.7270/Q2N58NNN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50423557
PNG
(CHEMBL403330)
Show SMILES CC(C)COc1ccc(Cl)cc1Cc1ccc(o1)C([O-])=O
Show InChI InChI=1S/C16H17ClO4/c1-10(2)9-20-14-5-3-12(17)7-11(14)8-13-4-6-15(21-13)16(18)19/h3-7,10H,8-9H2,1-2H3,(H,18,19)/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from EP1 receptor


Bioorg Med Chem Lett 18: 1592-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.071
BindingDB Entry DOI: 10.7270/Q2N58NNN
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|
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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
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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PubMed
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))
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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