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Compile Data Set for Download or QSAR

Found 544 hits with Last Name = 'hwang' and Initial = 'js'   
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 phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50299153
PNG
((Z)-5-{2-[3,5-bis(trifluoromethyl)benzyloxy]-5-bro...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:7.8,t:1|
Show InChI InChI=1S/C19H10BrF6NO3S/c20-13-1-2-14(10(5-13)6-15-16(28)27-17(29)31-15)30-8-9-3-11(18(21,22)23)7-12(4-9)19(24,25)26/h1-7H,8H2,(H,27,28,29)
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2.10E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6161-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.020
BindingDB Entry DOI: 10.7270/Q20P102S
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM50299153
PNG
((Z)-5-{2-[3,5-bis(trifluoromethyl)benzyloxy]-5-bro...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:7.8,t:1|
Show InChI InChI=1S/C19H10BrF6NO3S/c20-13-1-2-14(10(5-13)6-15-16(28)27-17(29)31-15)30-8-9-3-11(18(21,22)23)7-12(4-9)19(24,25)26/h1-7H,8H2,(H,27,28,29)
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2.20E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP1 catalytic domain expressed in Escherichia coli


Bioorg Med Chem Lett 19: 6161-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.020
BindingDB Entry DOI: 10.7270/Q20P102S
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50299153
PNG
((Z)-5-{2-[3,5-bis(trifluoromethyl)benzyloxy]-5-bro...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:7.8,t:1|
Show InChI InChI=1S/C19H10BrF6NO3S/c20-13-1-2-14(10(5-13)6-15-16(28)27-17(29)31-15)30-8-9-3-11(18(21,22)23)7-12(4-9)19(24,25)26/h1-7H,8H2,(H,27,28,29)
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4.50E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP


Bioorg Med Chem Lett 19: 6161-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.020
BindingDB Entry DOI: 10.7270/Q20P102S
More data for this
Ligand-Target Pair
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
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530063
PNG
(CHEMBL4436391)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+
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n/an/a 6n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530063
PNG
(CHEMBL4436391)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+
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n/an/a 6n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
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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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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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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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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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 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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n/an/a 8.80n/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))
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))
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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n/an/a 9.40n/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 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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n/an/a 9.90n/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
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 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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n/an/a 11n/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))
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 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
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 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
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530064
PNG
(CHEMBL4437929)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30-
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n/an/a 17n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530064
PNG
(CHEMBL4437929)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30-
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n/an/a 17n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
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
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|
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/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
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