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Compile Data Set for Download or QSAR

Found 315 hits with Last Name = 'hong' and Initial = 'kb'   
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))
BDBM50557255
PNG
(CHEMBL4783938)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(Cl)cc2)[C@@H](C)C1 |r|
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n/an/a 0.145n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557246
PNG
(CHEMBL4761365)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C)C1 |r|
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n/an/a 0.199n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557246
PNG
(CHEMBL4761365)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C)C1 |r|
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n/an/a 0.199n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557254
PNG
(CHEMBL4747742)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)C[C@@H]1F |r|
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n/an/a 0.769n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 0.980n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557241
PNG
(CHEMBL4789693)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)[C@@H](C)C1 |r|
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557249
PNG
(CHEMBL4744772)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(cc2)C#N)[C@H](C)C1 |r|
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50557255
PNG
(CHEMBL4783938)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(Cl)cc2)[C@@H](C)C1 |r|
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50557249
PNG
(CHEMBL4744772)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(cc2)C#N)[C@H](C)C1 |r|
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50557255
PNG
(CHEMBL4783938)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(Cl)cc2)[C@@H](C)C1 |r|
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557245
PNG
(CHEMBL4779060)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)[C@H](C)C1 |r|
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n/an/a 3.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50557246
PNG
(CHEMBL4761365)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C)C1 |r|
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n/an/a 3.36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50557246
PNG
(CHEMBL4761365)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C)C1 |r|
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557243
PNG
(CHEMBL4750779)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)[C@@H](C)C1 |r|
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50557246
PNG
(CHEMBL4761365)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C)C1 |r|
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n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50557246
PNG
(CHEMBL4761365)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C)C1 |r|
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n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50557237
PNG
(CHEMBL4787133)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2cccc(OC)c2)CC1
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n/an/a 4.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50557249
PNG
(CHEMBL4744772)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(cc2)C#N)[C@H](C)C1 |r|
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n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557242
PNG
(CHEMBL4777577)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@@H](C)C1 |r|
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n/an/a 5.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50557249
PNG
(CHEMBL4744772)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(cc2)C#N)[C@H](C)C1 |r|
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n/an/a 6.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant TYK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557250
PNG
(CHEMBL4785998)
Show SMILES C[C@@H]1C[C@@H](CCN1Cc1cccc(Cl)c1)Nc1c(cnc2[nH]ccc12)C(N)=O |r|
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n/an/a 6.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557253
PNG
(CHEMBL4742766)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)C[C@H]1F |r|
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n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50557255
PNG
(CHEMBL4783938)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(Cl)cc2)[C@@H](C)C1 |r|
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n/an/a 8.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant TYK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50557246
PNG
(CHEMBL4761365)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C)C1 |r|
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TBA

Assay Description
Inhibition of recombinant TYK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50557246
PNG
(CHEMBL4761365)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C)C1 |r|
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TBA

Assay Description
Inhibition of recombinant TYK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557237
PNG
(CHEMBL4787133)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2cccc(OC)c2)CC1
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TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50557245
PNG
(CHEMBL4779060)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)[C@H](C)C1 |r|
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TBA

Assay Description
Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50557251
PNG
(CHEMBL4787731)
Show SMILES COc1cccc(CN2CC[C@H](C[C@H]2C)Nc2c(cnc3[nH]ccc23)C(N)=O)c1 |r|
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TBA

Assay Description
Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50557252
PNG
(CHEMBL4777200)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)C[C@H]1F |r|
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TBA

Assay Description
Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557235
PNG
(CHEMBL4759666)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2cccc(Cl)c2)CC1
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TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50557250
PNG
(CHEMBL4785998)
Show SMILES C[C@@H]1C[C@@H](CCN1Cc1cccc(Cl)c1)Nc1c(cnc2[nH]ccc12)C(N)=O |r|
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TBA

Assay Description
Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant TYK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557240
PNG
(CHEMBL4744048)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 |r|
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TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50557254
PNG
(CHEMBL4747742)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)C[C@@H]1F |r|
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TBA

Assay Description
Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557236
PNG
(CHEMBL4781706)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2ccc(Cl)cc2)CC1
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TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))
BDBM50601344
PNG
(CHEMBL5193156)
Show SMILES COc1cc(Cn2cnc3cc(ccc23)-c2nnc(N)s2)ccc1OCCCN1CCCCC1
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00256
BindingDB Entry DOI: 10.7270/Q23X8BQF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557247
PNG
(CHEMBL4755612)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)[C@H](C)C1 |r|
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TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557233
PNG
(CHEMBL4785910)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccc(cc1)C#N |TLB:22:21:14.15.20:17.18|
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TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50557243
PNG
(CHEMBL4750779)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)[C@@H](C)C1 |r|
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TBA

Assay Description
Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))
BDBM50601356
PNG
(CHEMBL5190683)
Show SMILES COc1ccc(Cn2cnc3cc(ccc23)-c2nnc(N)s2)cc1OC
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00256
BindingDB Entry DOI: 10.7270/Q23X8BQF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557252
PNG
(CHEMBL4777200)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)C[C@H]1F |r|
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TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557251
PNG
(CHEMBL4787731)
Show SMILES COc1cccc(CN2CC[C@H](C[C@H]2C)Nc2c(cnc3[nH]ccc23)C(N)=O)c1 |r|
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TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557230
PNG
(CHEMBL4787974)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1 |TLB:22:21:14.15.20:17.18|
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TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50557207
PNG
(CHEMBL4763801)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(OC)c2)CC1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))
BDBM50601363
PNG
(CHEMBL5181839)
Show SMILES COc1cc(Cn2cnc3cc(ccc23)-c2nnc(N)s2)ccc1OCCCc1ccccn1
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00256
BindingDB Entry DOI: 10.7270/Q23X8BQF
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))
BDBM50601345
PNG
(CHEMBL5202172)
Show SMILES COc1cc(Cn2cnc3cc(ccc23)-c2nnc(N)s2)ccc1OCCCN1CCOCC1
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00256
BindingDB Entry DOI: 10.7270/Q23X8BQF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50557241
PNG
(CHEMBL4789693)
Show SMILES CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)[C@@H](C)C1 |r|
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TBA

Assay Description
Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095964
PNG
(CHEMBL3593765)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H19N7O4/c1-2-22-18(29)15-13(27)14(28)19(30-15)26-9-23-12-16(20)24-11(25-17(12)26)6-5-10-4-3-7-21-8-10/h3-4,7-9,13-15,19,27-28H,2H2,1H3,(H,22,29)(H2,20,24,25)/t13-,14+,15+,19?/m1/s1
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01026
BindingDB Entry DOI: 10.7270/Q2W95DTD
More data for this
Ligand-Target Pair
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