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Compile Data Set for Download or QSAR

Found 266 hits with Last Name = 'haque' and Initial = 'le'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035810
PNG
(CHEMBL3359927)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035810
PNG
(CHEMBL3359927)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035849
PNG
(CHEMBL3359915)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM205027
PNG
(US9249096, 40)
Show SMILES OC1=C(CN(Cc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H20Cl2N2O3/c22-17-9-8-14(11-18(17)23)7-4-10-24-20(27)16-13-25(21(28)19(16)26)12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,26H,4,7,10,12-13H2,(H,24,27)
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n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035814
PNG
(CHEMBL3359921)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C16H23N5O/c1-15(2)12(6-7-16(15,3)18)20-13-10(14(17)22)9-19-21-8-4-5-11(13)21/h4-5,8-9,12,20H,6-7,18H2,1-3H3,(H2,17,22)/t12-,16+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035842
PNG
(CHEMBL3359908)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458638
PNG
(CHEMBL4203395)
Show SMILES OC1=C(CN(CCOc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C22H22Cl2N2O4/c23-18-9-8-15(13-19(18)24)5-4-10-25-21(28)17-14-26(22(29)20(17)27)11-12-30-16-6-2-1-3-7-16/h1-3,6-9,13,27H,4-5,10-12,14H2,(H,25,28)
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n/an/a 5.40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035847
PNG
(CHEMBL3359913)
Show SMILES CC1(C)[C@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035837
PNG
(CHEMBL3359926)
Show SMILES C[C@@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N |r|
Show InChI InChI=1S/C15H17N5O/c1-15(9-16)6-2-5-12(15)19-13-10(14(17)21)8-18-20-7-3-4-11(13)20/h3-4,7-8,12,19H,2,5-6H2,1H3,(H2,17,21)/t12-,15-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035849
PNG
(CHEMBL3359915)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035842
PNG
(CHEMBL3359908)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035841
PNG
(CHEMBL3359907)
Show SMILES C[C@@H](Nc1c(cnn2cccc12)C(N)=O)C(C)(C)C |r|
Show InChI InChI=1S/C14H20N4O/c1-9(14(2,3)4)17-12-10(13(15)19)8-16-18-7-5-6-11(12)18/h5-9,17H,1-4H3,(H2,15,19)/t9-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035810
PNG
(CHEMBL3359927)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458637
PNG
(CHEMBL4210998)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NC)C1=O |t:19|
Show InChI InChI=1S/C17H21Cl2N3O2/c1-3-22-10-12(15(20-2)17(22)24)16(23)21-8-4-5-11-6-7-13(18)14(19)9-11/h6-7,9,20H,3-5,8,10H2,1-2H3,(H,21,23)
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035837
PNG
(CHEMBL3359926)
Show SMILES C[C@@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N |r|
Show InChI InChI=1S/C15H17N5O/c1-15(9-16)6-2-5-12(15)19-13-10(14(17)21)8-18-20-7-3-4-11(13)20/h3-4,7-8,12,19H,2,5-6H2,1H3,(H2,17,21)/t12-,15-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035812
PNG
(CHEMBL3359919)
Show SMILES CC1(C)[C@@H](N)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H21N5O/c1-15(2)11(16)5-6-12(15)19-13-9(14(17)21)8-18-20-7-3-4-10(13)20/h3-4,7-8,11-12,19H,5-6,16H2,1-2H3,(H2,17,21)/t11-,12+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035851
PNG
(CHEMBL3359917)
Show SMILES C[C@@]1(O)C[C@@H](Nc2c(cnn3cccc23)C(N)=O)C(C)(C)C1 |r|
Show InChI InChI=1S/C16H22N4O2/c1-15(2)9-16(3,22)7-12(15)19-13-10(14(17)21)8-18-20-6-4-5-11(13)20/h4-6,8,12,19,22H,7,9H2,1-3H3,(H2,17,21)/t12-,16-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035837
PNG
(CHEMBL3359926)
Show SMILES C[C@@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N |r|
Show InChI InChI=1S/C15H17N5O/c1-15(9-16)6-2-5-12(15)19-13-10(14(17)21)8-18-20-7-3-4-11(13)20/h3-4,7-8,12,19H,2,5-6H2,1H3,(H2,17,21)/t12-,15-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035846
PNG
(CHEMBL3359912)
Show SMILES CC1(C)[C@@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50035842
PNG
(CHEMBL3359908)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50458647
PNG
(CHEMBL4212095)
Show SMILES Cn1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O
Show InChI InChI=1S/C16H16Cl2N2O3/c1-20-8-6-11(14(21)16(20)23)15(22)19-7-2-3-10-4-5-12(17)13(18)9-10/h4-6,8-9,21H,2-3,7H2,1H3,(H,19,22)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HL expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followed by substrate a...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035841
PNG
(CHEMBL3359907)
Show SMILES C[C@@H](Nc1c(cnn2cccc12)C(N)=O)C(C)(C)C |r|
Show InChI InChI=1S/C14H20N4O/c1-9(14(2,3)4)17-12-10(13(15)19)8-16-18-7-5-6-11(12)18/h5-9,17H,1-4H3,(H2,15,19)/t9-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50035810
PNG
(CHEMBL3359927)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035814
PNG
(CHEMBL3359921)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C16H23N5O/c1-15(2)12(6-7-16(15,3)18)20-13-10(14(17)22)9-19-21-8-4-5-11(13)21/h4-5,8-9,12,20H,6-7,18H2,1-3H3,(H2,17,22)/t12-,16+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458645
PNG
(CHEMBL4215063)
Show SMILES OC1=C(CN(CCCN2CCCC2=O)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H25Cl2N3O4/c22-16-7-6-14(12-17(16)23)4-1-8-24-20(29)15-13-26(21(30)19(15)28)11-3-10-25-9-2-5-18(25)27/h6-7,12,28H,1-5,8-11,13H2,(H,24,29)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458642
PNG
(CHEMBL4218352)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NCCOC(C)C)C1=O |t:19|
Show InChI InChI=1S/C21H29Cl2N3O3/c1-4-26-13-16(19(21(26)28)24-10-11-29-14(2)3)20(27)25-9-5-6-15-7-8-17(22)18(23)12-15/h7-8,12,14,24H,4-6,9-11,13H2,1-3H3,(H,25,27)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035847
PNG
(CHEMBL3359913)
Show SMILES CC1(C)[C@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035847
PNG
(CHEMBL3359913)
Show SMILES CC1(C)[C@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035842
PNG
(CHEMBL3359908)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035817
PNG
(CHEMBL3359924)
Show SMILES C[C@]1(CO)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H20N4O2/c1-15(9-20)6-2-5-12(15)18-13-10(14(16)21)8-17-19-7-3-4-11(13)19/h3-4,7-8,12,18,20H,2,5-6,9H2,1H3,(H2,16,21)/t12-,15-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035811
PNG
(CHEMBL3359918)
Show SMILES CC1(C)[C@H](N)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H21N5O/c1-15(2)11(16)5-6-12(15)19-13-9(14(17)21)8-18-20-7-3-4-10(13)20/h3-4,7-8,11-12,19H,5-6,16H2,1-2H3,(H2,17,21)/t11-,12-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458636
PNG
(CHEMBL4206624)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NCCCN2CCCCC2)C1=O |t:19|
Show InChI InChI=1S/C24H34Cl2N4O2/c1-2-30-17-19(22(24(30)32)27-12-7-15-29-13-4-3-5-14-29)23(31)28-11-6-8-18-9-10-20(25)21(26)16-18/h9-10,16,27H,2-8,11-15,17H2,1H3,(H,28,31)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035849
PNG
(CHEMBL3359915)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035848
PNG
(CHEMBL3359914)
Show SMILES C[C@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458644
PNG
(CHEMBL4214459)
Show SMILES CN1C(CC(C)(C)C)C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O |t:23|
Show InChI InChI=1S/C20H26Cl2N2O3/c1-20(2,3)11-15-16(17(25)19(27)24(15)4)18(26)23-9-5-6-12-7-8-13(21)14(22)10-12/h7-8,10,15,25H,5-6,9,11H2,1-4H3,(H,23,26)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035838
PNG
(CHEMBL3352892)
Show SMILES C[C@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N |r|
Show InChI InChI=1S/C15H17N5O/c1-15(9-16)6-2-5-12(15)19-13-10(14(17)21)8-18-20-7-3-4-11(13)20/h3-4,7-8,12,19H,2,5-6H2,1H3,(H2,17,21)/t12-,15+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50035841
PNG
(CHEMBL3359907)
Show SMILES C[C@@H](Nc1c(cnn2cccc12)C(N)=O)C(C)(C)C |r|
Show InChI InChI=1S/C14H20N4O/c1-9(14(2,3)4)17-12-10(13(15)19)8-16-18-7-5-6-11(12)18/h5-9,17H,1-4H3,(H2,15,19)/t9-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458646
PNG
(CHEMBL4207746)
Show SMILES CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O |t:19|
Show InChI InChI=1S/C16H18Cl2N2O3/c1-2-20-9-11(14(21)16(20)23)15(22)19-7-3-4-10-5-6-12(17)13(18)8-10/h5-6,8,21H,2-4,7,9H2,1H3,(H,19,22)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035850
PNG
(CHEMBL3359916)
Show SMILES C[C@]1(O)C[C@@H](Nc2c(cnn3cccc23)C(N)=O)C(C)(C)C1 |r|
Show InChI InChI=1S/C16H22N4O2/c1-15(2)9-16(3,22)7-12(15)19-13-10(14(17)21)8-18-20-6-4-5-11(13)20/h4-6,8,12,19,22H,7,9H2,1-3H3,(H2,17,21)/t12-,16+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50035849
PNG
(CHEMBL3359915)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50035837
PNG
(CHEMBL3359926)
Show SMILES C[C@@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N |r|
Show InChI InChI=1S/C15H17N5O/c1-15(9-16)6-2-5-12(15)19-13-10(14(17)21)8-18-20-7-3-4-11(13)20/h3-4,7-8,12,19H,2,5-6H2,1H3,(H2,17,21)/t12-,15-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035813
PNG
(CHEMBL3359920)
Show SMILES C[C@@]1(N)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C16H23N5O/c1-15(2)12(6-7-16(15,3)18)20-13-10(14(17)22)9-19-21-8-4-5-11(13)21/h4-5,8-9,12,20H,6-7,18H2,1-3H3,(H2,17,22)/t12-,16-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035812
PNG
(CHEMBL3359919)
Show SMILES CC1(C)[C@@H](N)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H21N5O/c1-15(2)11(16)5-6-12(15)19-13-9(14(17)21)8-18-20-7-3-4-10(13)20/h3-4,7-8,11-12,19H,5-6,16H2,1-2H3,(H2,17,21)/t11-,12+/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035817
PNG
(CHEMBL3359924)
Show SMILES C[C@]1(CO)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H20N4O2/c1-15(9-20)6-2-5-12(15)18-13-10(14(16)21)8-17-19-7-3-4-11(13)19/h3-4,7-8,12,18,20H,2,5-6,9H2,1H3,(H2,16,21)/t12-,15-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035811
PNG
(CHEMBL3359918)
Show SMILES CC1(C)[C@H](N)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H21N5O/c1-15(2)11(16)5-6-12(15)19-13-9(14(17)21)8-18-20-7-3-4-10(13)20/h3-4,7-8,11-12,19H,5-6,16H2,1-2H3,(H2,17,21)/t11-,12-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458639
PNG
(CHEMBL4207216)
Show SMILES CN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O |t:18|
Show InChI InChI=1S/C15H16Cl2N2O3/c1-19-8-10(13(20)15(19)22)14(21)18-6-2-3-9-4-5-11(16)12(17)7-9/h4-5,7,20H,2-3,6,8H2,1H3,(H,18,21)
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n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035816
PNG
(CHEMBL3359923)
Show SMILES C[C@@]1(O)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C14H18N4O2/c1-14(20)6-2-5-11(14)17-12-9(13(15)19)8-16-18-7-3-4-10(12)18/h3-4,7-8,11,17,20H,2,5-6H2,1H3,(H2,15,19)/t11-,14-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50035847
PNG
(CHEMBL3359913)
Show SMILES CC1(C)[C@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035840
PNG
(CHEMBL3359929)
Show SMILES C[C@@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458640
PNG
(CHEMBL4203934)
Show SMILES CCN1CC(C(=O)NC(C)CCc2ccc(Cl)c(Cl)c2)=C(O)C1=O |t:20|
Show InChI InChI=1S/C17H20Cl2N2O3/c1-3-21-9-12(15(22)17(21)24)16(23)20-10(2)4-5-11-6-7-13(18)14(19)8-11/h6-8,10,22H,3-5,9H2,1-2H3,(H,20,23)
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n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
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