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Compile Data Set for Download or QSAR

Found 5565 hits with Last Name = 'dinsmore' and Initial = 'c'   
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))		BDBM153166
PNG
(US8993756, 4-9)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(Cl)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H17ClN4O3/c1-4-27-19(26)12-8-21-17-15(12)16(22-9-23-17)11-5-6-13(20)14(7-11)24-18(25)10(2)3/h5-9H,2,4H2,1,3H3,(H,24,25)(H,21,22,23)
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n/an/a 0.0130n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153198
PNG
(US8993756, 5-10)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(F)c(NC(=O)C(F)=C)c3)c12
Show InChI InChI=1S/C18H14F2N4O3/c1-3-27-18(26)11-7-21-16-14(11)15(22-8-23-16)10-4-5-12(20)13(6-10)24-17(25)9(2)19/h4-8H,2-3H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 0.0130n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153227
PNG
(US10421760, Comparative Example 12 | US8993756, 20...)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C21H16N4O/c1-2-18(26)25-16-10-6-9-15(11-16)20-19-17(14-7-4-3-5-8-14)12-22-21(19)24-13-23-20/h2-13H,1H2,(H,25,26)(H,22,23,24)
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n/an/a 0.0160n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50250920
PNG
(CHEMBL4078799)
Show SMILES Cn1cc(cn1)-c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1 |r|
Show InChI InChI=1S/C20H21N7O2/c1-26-10-15(9-23-26)13-2-4-16(5-3-13)24-20-17(19(22)28)11-27(25-20)18-12-29-7-6-14(18)8-21/h2-5,9-11,14,18H,6-7,12H2,1H3,(H2,22,28)(H,24,25)/t14-,18+/m1/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...

J Med Chem 60: 9676-9690 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01135
BindingDB Entry DOI: 10.7270/Q20867RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153218
PNG
(US8993756, 15-2)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CO)c3)c12
Show InChI InChI=1S/C19H18N4O4/c1-3-27-19(26)14-8-20-17-15(14)16(21-10-22-17)12-5-4-6-13(7-12)23-18(25)11(2)9-24/h4-8,10,24H,2-3,9H2,1H3,(H,23,25)(H,20,21,22)
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n/an/a 0.0200n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM47231
PNG
(US8993756, 16)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\CN(C)C)c3)c12
Show InChI InChI=1S/C21H23N5O3/c1-4-29-21(28)16-12-22-20-18(16)19(23-13-24-20)14-7-5-8-15(11-14)25-17(27)9-6-10-26(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,25,27)(H,22,23,24)/b9-6+
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n/an/a 0.0200n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153217
PNG
(US8993756, 15-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CF)c3)c12
Show InChI InChI=1S/C19H17FN4O3/c1-3-27-19(26)14-9-21-17-15(14)16(22-10-23-17)12-5-4-6-13(7-12)24-18(25)11(2)8-20/h4-7,9-10H,2-3,8H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 0.0240n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153191
PNG
(US8993756, 5-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(F)=C)c3)c12
Show InChI InChI=1S/C18H15FN4O3/c1-3-26-18(25)13-8-20-16-14(13)15(21-9-22-16)11-5-4-6-12(7-11)23-17(24)10(2)19/h4-9H,2-3H2,1H3,(H,23,24)(H,20,21,22)
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n/an/a 0.0240n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153207
PNG
(US8993756, 5-45)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)COC)c3)c12
Show InChI InChI=1S/C20H20N4O4/c1-4-28-20(26)15-9-21-18-16(15)17(22-11-23-18)13-6-5-7-14(8-13)24-19(25)12(2)10-27-3/h5-9,11H,2,4,10H2,1,3H3,(H,24,25)(H,21,22,23)
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n/an/a 0.0250n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153168
PNG
(US8993756, 4-11)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(C)c(NC(=O)C=C)c3)c12
Show InChI InChI=1S/C19H18N4O3/c1-4-15(24)23-14-8-12(7-6-11(14)3)17-16-13(19(25)26-5-2)9-20-18(16)22-10-21-17/h4,6-10H,1,5H2,2-3H3,(H,23,24)(H,20,21,22)
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n/an/a 0.0330n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153209
PNG
(US8993756, 10-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NS(=O)(=O)C=C)c3)c12
Show InChI InChI=1S/C17H16N4O4S/c1-3-25-17(22)13-9-18-16-14(13)15(19-10-20-16)11-6-5-7-12(8-11)21-26(23,24)4-2/h4-10,21H,2-3H2,1H3,(H,18,19,20)
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n/an/a 0.0370n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50250934
PNG
(CHEMBL4066906)
Show SMILES C[C@@H]1NS(=O)(=O)c2ccc(Nc3nn(cc3C(N)=O)[C@H]3COCC[C@@H]3C#N)cc12 |r|
Show InChI InChI=1S/C18H20N6O4S/c1-10-13-6-12(2-3-16(13)29(26,27)23-10)21-18-14(17(20)25)8-24(22-18)15-9-28-5-4-11(15)7-19/h2-3,6,8,10-11,15,23H,4-5,9H2,1H3,(H2,20,25)(H,21,22)/t10-,11+,15-/m0/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...

J Med Chem 60: 9676-9690 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01135
BindingDB Entry DOI: 10.7270/Q20867RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153163
PNG
(US8993756, 4-5)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C=C)c3)c12
Show InChI InChI=1S/C18H16N4O3/c1-3-14(23)22-12-7-5-6-11(8-12)16-15-13(18(24)25-4-2)9-19-17(15)21-10-20-16/h3,5-10H,1,4H2,2H3,(H,22,23)(H,19,20,21)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM147758
PNG
(US8962608, 28-76)
Show SMILES C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CCC2)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H27F3N6O2/c1-22(34,23(24,25)26)15-3-5-16(6-4-15)29-21-18(20(28)33)13-32(30-21)19-8-7-17(11-14(19)12-27)31-9-2-10-31/h3-6,13-14,17,19,34H,2,7-11H2,1H3,(H2,28,33)(H,29,30)/t14-,17-,19+,22-/m1/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153194
PNG
(US8993756, 5-5)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(Br)=C)c3)c12
Show InChI InChI=1S/C18H15BrN4O3/c1-3-26-18(25)13-8-20-16-14(13)15(21-9-22-16)11-5-4-6-12(7-11)23-17(24)10(2)19/h4-9H,2-3H2,1H3,(H,23,24)(H,20,21,22)
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n/an/a 0.0430n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153190
PNG
(US8993756, 4-35)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccnc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C18H17N5O3/c1-4-26-18(25)12-8-20-16-14(12)15(21-9-22-16)11-5-6-19-13(7-11)23-17(24)10(2)3/h5-9H,2,4H2,1,3H3,(H,19,23,24)(H,20,21,22)
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n/an/a 0.0490n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153162
PNG
(US8993756, 4-4)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C(C)=C)nc(OC)c3)c12
Show InChI InChI=1S/C19H19N5O4/c1-5-28-19(26)12-8-20-17-15(12)16(21-9-22-17)11-6-13(23-14(7-11)27-4)24-18(25)10(2)3/h6-9H,2,5H2,1,3-4H3,(H,20,21,22)(H,23,24,25)
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n/an/a 0.0490n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM237874
PNG
(US9394282, 9-9)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1COCC[C@@H]1C#N |r|
Show InChI InChI=1S/C18H18F3N5O3/c19-18(20,21)15(27)10-1-3-12(4-2-10)24-17-13(16(23)28)8-26(25-17)14-9-29-6-5-11(14)7-22/h1-4,8,11,14-15,27H,5-6,9H2,(H2,23,28)(H,24,25)/t11-,14+,15+/m1/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...

J Med Chem 60: 9676-9690 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01135
BindingDB Entry DOI: 10.7270/Q20867RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153175
PNG
(US8993756, 4-19)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cc(F)cc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H17FN4O3/c1-4-27-19(26)14-8-21-17-15(14)16(22-9-23-17)11-5-12(20)7-13(6-11)24-18(25)10(2)3/h5-9H,2,4H2,1,3H3,(H,24,25)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153214
PNG
(US8993756, 13-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CNS(C)(=O)=O)c3)c12
Show InChI InChI=1S/C20H21N5O5S/c1-4-30-20(27)15-10-21-18-16(15)17(22-11-23-18)13-6-5-7-14(8-13)25-19(26)12(2)9-24-31(3,28)29/h5-8,10-11,24H,2,4,9H2,1,3H3,(H,25,26)(H,21,22,23)
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n/an/a 0.0520n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153219
PNG
(US8993756, 18-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C4(C)CO4)c3)c12
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n/an/a 0.0560n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50250922
PNG
(CHEMBL4096821)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)-n1ccnn1)[C@H]1COCC[C@@H]1C#N |r|
Show InChI InChI=1S/C18H18N8O2/c19-9-12-5-8-28-11-16(12)26-10-15(17(20)27)18(23-26)22-13-1-3-14(4-2-13)25-7-6-21-24-25/h1-4,6-7,10,12,16H,5,8,11H2,(H2,20,27)(H,22,23)/t12-,16+/m1/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...

J Med Chem 60: 9676-9690 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01135
BindingDB Entry DOI: 10.7270/Q20867RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM147733
PNG
(US8962608, 28-44)
Show SMILES CC1(C)CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)[C@H](O)C(F)(F)F)n1 |r|
Show InChI InChI=1S/C24H29F3N6O2/c1-23(2)12-32(13-23)17-7-8-19(15(9-17)10-28)33-11-18(21(29)35)22(31-33)30-16-5-3-14(4-6-16)20(34)24(25,26)27/h3-6,11,15,17,19-20,34H,7-9,12-13H2,1-2H3,(H2,29,35)(H,30,31)/t15-,17-,19+,20+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM147752
PNG
(US8962608, 28-68)
Show SMILES C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](C[C@@H]2C#N)N2CC(C)(C)C2)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H31F3N6O2/c1-23(2)13-33(14-23)18-8-9-20(15(10-18)11-29)34-12-19(21(30)35)22(32-34)31-17-6-4-16(5-7-17)24(3,36)25(26,27)28/h4-7,12,15,18,20,36H,8-10,13-14H2,1-3H3,(H2,30,35)(H,31,32)/t15-,18+,20+,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM147774
PNG
(US8962608, 28-93)
Show SMILES CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)[C@H](O)C(F)(F)F)n1 |r|
Show InChI InChI=1S/C24H29F3N6O2/c1-23(2)12-32(13-23)17-7-8-19(15(9-17)10-28)33-11-18(21(29)35)22(31-33)30-16-5-3-14(4-6-16)20(34)24(25,26)27/h3-6,11,15,17,19-20,34H,7-9,12-13H2,1-2H3,(H2,29,35)(H,30,31)/t15-,17+,19+,20+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM147747
PNG
(US8962608, 28-61)
Show SMILES CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)[C@@H](O)C(F)(F)F)n1 |r|
Show InChI InChI=1S/C24H29F3N6O2/c1-23(2)12-32(13-23)17-7-8-19(15(9-17)10-28)33-11-18(21(29)35)22(31-33)30-16-5-3-14(4-6-16)20(34)24(25,26)27/h3-6,11,15,17,19-20,34H,7-9,12-13H2,1-2H3,(H2,29,35)(H,30,31)/t15-,17+,19+,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153170
PNG
(US8993756, 4-14)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(Cl)c(NC(=O)C=C)c3)c12
Show InChI InChI=1S/C18H15ClN4O3/c1-3-14(24)23-13-7-10(5-6-12(13)19)16-15-11(18(25)26-4-2)8-20-17(15)22-9-21-16/h3,5-9H,1,4H2,2H3,(H,23,24)(H,20,21,22)
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n/an/a 0.0660n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153179
PNG
(US8993756, 4-24)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C(C)=C)cc(c3)C#N)c12
Show InChI InChI=1S/C20H17N5O3/c1-4-28-20(27)15-9-22-18-16(15)17(23-10-24-18)13-5-12(8-21)6-14(7-13)25-19(26)11(2)3/h5-7,9-10H,2,4H2,1,3H3,(H,25,26)(H,22,23,24)
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n/an/a 0.0680n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50250923
PNG
(CHEMBL4072848 | US10766883, Ex-3)
Show SMILES COc1cc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)ccc1C#N |r|
Show InChI InChI=1S/C18H18N6O3/c1-26-16-6-13(3-2-12(16)8-20)22-18-14(17(21)25)9-24(23-18)15-10-27-5-4-11(15)7-19/h2-3,6,9,11,15H,4-5,10H2,1H3,(H2,21,25)(H,22,23)/t11-,15+/m1/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...

J Med Chem 60: 9676-9690 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01135
BindingDB Entry DOI: 10.7270/Q20867RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153172
PNG
(US8993756, 4-16)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(F)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H17FN4O3/c1-4-27-19(26)12-8-21-17-15(12)16(22-9-23-17)11-5-6-13(20)14(7-11)24-18(25)10(2)3/h5-9H,2,4H2,1,3H3,(H,24,25)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153193
PNG
(US8993756, 5-3)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C#CC)c3)c12
Show InChI InChI=1S/C19H16N4O3/c1-3-6-15(24)23-13-8-5-7-12(9-13)17-16-14(19(25)26-4-2)10-20-18(16)22-11-21-17/h5,7-11H,4H2,1-2H3,(H,23,24)(H,20,21,22)
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n/an/a 0.0720n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM147681
PNG
(US8962608, 27-6)
Show SMILES CNC1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1 |r|
Show InChI InChI=1S/C19H21F3N6O3S/c1-25-13-4-7-16(11(8-13)9-23)28-10-15(17(24)29)18(27-28)26-12-2-5-14(6-3-12)32(30,31)19(20,21)22/h2-3,5-6,10-11,13,16,25H,4,7-8H2,1H3,(H2,24,29)(H,26,27)/t11-,13?,16?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153176
PNG
(US8993756, 4-20)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc4CCN(C(=O)C=C)c4c3)c12
Show InChI InChI=1S/C20H18N4O3/c1-3-16(25)24-8-7-12-5-6-13(9-15(12)24)18-17-14(20(26)27-4-2)10-21-19(17)23-11-22-18/h3,5-6,9-11H,1,4,7-8H2,2H3,(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153161
PNG
(US8993756, 4-3)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cncc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C18H17N5O3/c1-4-26-18(25)13-8-20-16-14(13)15(21-9-22-16)11-5-12(7-19-6-11)23-17(24)10(2)3/h5-9H,2,4H2,1,3H3,(H,23,24)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153184
PNG
(US8993756, 4-29)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(c(NC(=O)C(C)=C)c3)S(C)(=O)=O)c12
Show InChI InChI=1S/C20H20N4O5S/c1-5-29-20(26)13-9-21-18-16(13)17(22-10-23-18)12-6-7-15(30(4,27)28)14(8-12)24-19(25)11(2)3/h6-10H,2,5H2,1,3-4H3,(H,24,25)(H,21,22,23)
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n/an/a 0.0870n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50250927
PNG
(CHEMBL4071005 | US10766883, Ex-1)
Show SMILES COc1cc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)ccc1Cl |r|
Show InChI InChI=1S/C17H18ClN5O3/c1-25-15-6-11(2-3-13(15)18)21-17-12(16(20)24)8-23(22-17)14-9-26-5-4-10(14)7-19/h2-3,6,8,10,14H,4-5,9H2,1H3,(H2,20,24)(H,21,22)/t10-,14+/m1/s1
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...

J Med Chem 60: 9676-9690 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01135
BindingDB Entry DOI: 10.7270/Q20867RD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50250919
PNG
(CHEMBL4102140)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r|
Show InChI InChI=1S/C17H17F2N5O3/c18-17(19)27-12-3-1-11(2-4-12)22-16-13(15(21)25)8-24(23-16)14-9-26-6-5-10(14)7-20/h1-4,8,10,14,17H,5-6,9H2,(H2,21,25)(H,22,23)/t10-,14+/m1/s1
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...

J Med Chem 60: 9676-9690 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01135
BindingDB Entry DOI: 10.7270/Q20867RD
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))		BDBM50139186
PNG
(4-allyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)
Show SMILES C=CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C26H25N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h2,4-7,10-11,13,18H,1,3,8-9,14-17H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.

Bioorg Med Chem Lett 14: 639-43 (2004)


BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))		BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.

Bioorg Med Chem Lett 14: 639-43 (2004)


BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM147664
PNG
(US8962608, 25-28)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1 |r|
Show InChI InChI=1S/C18H21N5O4S/c1-28(26,27)14-5-2-12(3-6-14)21-18-15(17(20)25)10-23(22-18)16-7-4-13(24)8-11(16)9-19/h2-3,5-6,10-11,13,16,24H,4,7-8H2,1H3,(H2,20,25)(H,21,22)/t11-,13-,16+/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))		BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM

Bioorg Med Chem Lett 11: 1817-21 (2001)


BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM147769
PNG
(US8962608, 28-88)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC2(CCC2)C1 |r|
Show InChI InChI=1S/C25H29F3N6O2/c26-25(27,28)21(35)15-2-4-17(5-3-15)31-23-19(22(30)36)12-34(32-23)20-7-6-18(10-16(20)11-29)33-13-24(14-33)8-1-9-24/h2-5,12,16,18,20-21,35H,1,6-10,13-14H2,(H2,30,36)(H,31,32)/t16-,18+,20+,21+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM147773
PNG
(US8962608, 28-92)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CC2(CCC2)C1 |r|
Show InChI InChI=1S/C25H29F3N6O2/c26-25(27,28)21(35)15-2-4-17(5-3-15)31-23-19(22(30)36)12-34(32-23)20-7-6-18(10-16(20)11-29)33-13-24(14-33)8-1-9-24/h2-5,12,16,18,20-21,35H,1,6-10,13-14H2,(H2,30,36)(H,31,32)/t16-,18-,20+,21-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM147549
PNG
(US8962608, 17-30)
Show SMILES CC(C)([C@@H](O)C(F)(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2CCCC[C@H]2C#N)cc1 |r|
Show InChI InChI=1S/C22H26F3N5O2/c1-21(2,20(32)22(23,24)25)14-7-9-15(10-8-14)28-19-16(18(27)31)12-30(29-19)17-6-4-3-5-13(17)11-26/h7-10,12-13,17,20,32H,3-6H2,1-2H3,(H2,27,31)(H,28,29)/t13-,17+,20+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50152595
PNG
(CHEMBL3780091)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wD:4.7,1.0,(6.49,7.98,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
Show InChI InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+
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n/an/a 0.100n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)

Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153186
PNG
(US8993756, 4-31)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(O)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H18N4O4/c1-4-27-19(26)12-8-20-17-15(12)16(21-9-22-17)11-5-6-14(24)13(7-11)23-18(25)10(2)3/h5-9,24H,2,4H2,1,3H3,(H,23,25)(H,20,21,22)
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n/an/a 0.110n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153171
PNG
(US8993756, 4-15)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(OC)c(NC(=O)C=C)c3)c12
Show InChI InChI=1S/C19H18N4O4/c1-4-15(24)23-13-8-11(6-7-14(13)26-3)17-16-12(19(25)27-5-2)9-20-18(16)22-10-21-17/h4,6-10H,1,5H2,2-3H3,(H,23,24)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153173
PNG
(US8993756, 4-17)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(OC)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C20H20N4O4/c1-5-28-20(26)13-9-21-18-16(13)17(22-10-23-18)12-6-7-15(27-4)14(8-12)24-19(25)11(2)3/h6-10H,2,5H2,1,3-4H3,(H,24,25)(H,21,22,23)
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n/an/a 0.110n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))		BDBM50081221
PNG
(4-{5-[(S)-2-Butyl-4-(3-chloro-phenyl)-5-oxo-pipera...)
Show SMILES CCCC[C@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(Cl)c1
Show InChI InChI=1S/C26H28ClN5O/c1-2-3-6-24-17-32(23-7-4-5-22(27)12-23)26(33)18-30(24)16-25-14-29-19-31(25)15-21-10-8-20(13-28)9-11-21/h4-5,7-12,14,19,24H,2-3,6,15-18H2,1H3/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase

J Med Chem 42: 3779-84 (1999)


BindingDB Entry DOI: 10.7270/Q2F47NB1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM153180
PNG
(US8993756, 4-25)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(CO)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C20H20N4O4/c1-4-28-20(27)14-8-21-18-16(14)17(22-10-23-18)12-5-6-13(9-25)15(7-12)24-19(26)11(2)3/h5-8,10,25H,2,4,9H2,1,3H3,(H,24,26)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...

US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
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