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Compile Data Set for Download or QSAR

Found 198 hits Enz. Inhib. hit(s) with all data for entry = 50001017   
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))
BDBM50267796
PNG
(CHEMBL4098840)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(F)nc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C21H25FN6O/c1-20(2)16(6-7-21(20,3)24)27-18-14(19(23)29)10-26-28-11-13(8-15(18)28)12-4-5-17(22)25-9-12/h4-5,8-11,16,27H,6-7,24H2,1-3H3,(H2,23,29)/t16-,21+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267826
PNG
(CHEMBL4096145)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H27N5O/c1-21(2)18(9-10-22(21,3)24)26-19-16(20(23)28)12-25-27-13-15(11-17(19)27)14-7-5-4-6-8-14/h4-8,11-13,18,26H,9-10,24H2,1-3H3,(H2,23,28)/t18-,22+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267827
PNG
(CHEMBL4076794)
Show SMILES COc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(8-9-23(22,3)25)27-20-17(21(24)29)12-26-28-13-15(11-18(20)28)14-6-5-7-16(10-14)30-4/h5-7,10-13,19,27H,8-9,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267806
PNG
(CHEMBL4071255)
Show SMILES COc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(9-10-23(22,3)25)27-20-16(21(24)29)12-26-28-13-14(11-17(20)28)15-7-5-6-8-18(15)30-4/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267804
PNG
(CHEMBL4070136)
Show SMILES CC(C)Oc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C24H32N6O2/c1-14(2)32-20-7-6-15(11-27-20)16-10-18-21(17(22(25)31)12-28-30(18)13-16)29-19-8-9-24(5,26)23(19,3)4/h6-7,10-14,19,29H,8-9,26H2,1-5H3,(H2,25,31)/t19-,24+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267852
PNG
(CHEMBL4073562)
Show SMILES Cc1cc(ccn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C22H28N6O/c1-13-9-14(6-8-25-13)15-10-17-19(16(20(23)29)11-26-28(17)12-15)27-18-5-7-22(4,24)21(18,2)3/h6,8-12,18,27H,5,7,24H2,1-4H3,(H2,23,29)/t18-,22+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267828
PNG
(CHEMBL4078773)
Show SMILES COc1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(9-10-23(22,3)25)27-20-17(21(24)29)12-26-28-13-15(11-18(20)28)14-5-7-16(30-4)8-6-14/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267852
PNG
(CHEMBL4073562)
Show SMILES Cc1cc(ccn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C22H28N6O/c1-13-9-14(6-8-25-13)15-10-17-19(16(20(23)29)11-26-28(17)12-15)27-18-5-7-22(4,24)21(18,2)3/h6,8-12,18,27H,5,7,24H2,1-4H3,(H2,23,29)/t18-,22+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM141473
PNG
(US8921368, 192)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccnc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C21H26N6O/c1-20(2)17(6-7-21(20,3)23)26-18-15(19(22)28)11-25-27-12-14(9-16(18)27)13-5-4-8-24-10-13/h4-5,8-12,17,26H,6-7,23H2,1-3H3,(H2,22,28)/t17-,21+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267807
PNG
(CHEMBL4060536)
Show SMILES Cc1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O/c1-14-5-7-15(8-6-14)16-11-18-20(17(21(24)29)12-26-28(18)13-16)27-19-9-10-23(4,25)22(19,2)3/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267810
PNG
(CHEMBL4068856)
Show SMILES Cc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O/c1-14-7-5-6-8-16(14)15-11-18-20(17(21(24)29)12-26-28(18)13-15)27-19-9-10-23(4,25)22(19,2)3/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM141473
PNG
(US8921368, 192)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccnc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C21H26N6O/c1-20(2)17(6-7-21(20,3)23)26-18-15(19(22)28)11-25-27-12-14(9-16(18)27)13-5-4-8-24-10-13/h4-5,8-12,17,26H,6-7,23H2,1-3H3,(H2,22,28)/t17-,21+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267840
PNG
(CHEMBL4062062)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(Cl)cc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26ClN5O/c1-21(2)18(8-9-22(21,3)25)27-19-16(20(24)29)11-26-28-12-14(10-17(19)28)13-4-6-15(23)7-5-13/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267807
PNG
(CHEMBL4060536)
Show SMILES Cc1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O/c1-14-5-7-15(8-6-14)16-11-18-20(17(21(24)29)12-26-28(18)13-16)27-19-9-10-23(4,25)22(19,2)3/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267836
PNG
(CHEMBL4105015)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2Cl)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26ClN5O/c1-21(2)18(8-9-22(21,3)25)27-19-15(20(24)29)11-26-28-12-13(10-17(19)28)14-6-4-5-7-16(14)23/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267837
PNG
(CHEMBL4060444)
Show SMILES Cc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C22H28N6O/c1-13-5-6-14(10-25-13)15-9-17-19(16(20(23)29)11-26-28(17)12-15)27-18-7-8-22(4,24)21(18,2)3/h5-6,9-12,18,27H,7-8,24H2,1-4H3,(H2,23,29)/t18-,22+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267840
PNG
(CHEMBL4062062)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(Cl)cc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26ClN5O/c1-21(2)18(8-9-22(21,3)25)27-19-16(20(24)29)11-26-28-12-14(10-17(19)28)13-4-6-15(23)7-5-13/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267848
PNG
(CHEMBL4091582)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C23H26N6O/c1-22(2)19(8-9-23(22,3)26)28-20-17(21(25)30)12-27-29-13-16(10-18(20)29)15-6-4-14(11-24)5-7-15/h4-7,10,12-13,19,28H,8-9,26H2,1-3H3,(H2,25,30)/t19-,23+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267797
PNG
(CHEMBL4080797)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C22H28N6O2/c1-21(2)17(7-8-22(21,3)24)27-19-15(20(23)29)11-26-28-12-14(9-16(19)28)13-5-6-18(30-4)25-10-13/h5-6,9-12,17,27H,7-8,24H2,1-4H3,(H2,23,29)/t17-,22+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267808
PNG
(CHEMBL4087655)
Show SMILES Cc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O/c1-14-6-5-7-15(10-14)16-11-18-20(17(21(24)29)12-26-28(18)13-16)27-19-8-9-23(4,25)22(19,2)3/h5-7,10-13,19,27H,8-9,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267808
PNG
(CHEMBL4087655)
Show SMILES Cc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O/c1-14-6-5-7-15(10-14)16-11-18-20(17(21(24)29)12-26-28(18)13-16)27-19-8-9-23(4,25)22(19,2)3/h5-7,10-13,19,27H,8-9,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267826
PNG
(CHEMBL4096145)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H27N5O/c1-21(2)18(9-10-22(21,3)24)26-19-16(20(23)28)12-25-27-13-15(11-17(19)27)14-7-5-4-6-8-14/h4-8,11-13,18,26H,9-10,24H2,1-3H3,(H2,23,28)/t18-,22+/m1/s1
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Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267848
PNG
(CHEMBL4091582)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C23H26N6O/c1-22(2)19(8-9-23(22,3)26)28-20-17(21(25)30)12-27-29-13-16(10-18(20)29)15-6-4-14(11-24)5-7-15/h4-7,10,12-13,19,28H,8-9,26H2,1-3H3,(H2,25,30)/t19-,23+/m1/s1
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Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267839
PNG
(CHEMBL4076823)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc(Cl)c2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26ClN5O/c1-21(2)18(7-8-22(21,3)25)27-19-16(20(24)29)11-26-28-12-14(10-17(19)28)13-5-4-6-15(23)9-13/h4-6,9-12,18,27H,7-8,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267805
PNG
(CHEMBL4096795)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(nc2)C#N)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H25N7O/c1-21(2)18(6-7-22(21,3)25)28-19-16(20(24)30)11-27-29-12-14(8-17(19)29)13-4-5-15(9-23)26-10-13/h4-5,8,10-12,18,28H,6-7,25H2,1-3H3,(H2,24,30)/t18-,22+/m1/s1
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Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267827
PNG
(CHEMBL4076794)
Show SMILES COc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(8-9-23(22,3)25)27-20-17(21(24)29)12-26-28-13-15(11-18(20)28)14-6-5-7-16(10-14)30-4/h5-7,10-13,19,27H,8-9,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267798
PNG
(CHEMBL4091096)
Show SMILES CCOc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H30N6O2/c1-5-31-19-7-6-14(11-26-19)15-10-17-20(16(21(24)30)12-27-29(17)13-15)28-18-8-9-23(4,25)22(18,2)3/h6-7,10-13,18,28H,5,8-9,25H2,1-4H3,(H2,24,30)/t18-,23+/m1/s1
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Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267830
PNG
(CHEMBL4071806)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc(F)c2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26FN5O/c1-21(2)18(7-8-22(21,3)25)27-19-16(20(24)29)11-26-28-12-14(10-17(19)28)13-5-4-6-15(23)9-13/h4-6,9-12,18,27H,7-8,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267835
PNG
(CHEMBL4077508)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(F)cc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26FN5O/c1-21(2)18(8-9-22(21,3)25)27-19-16(20(24)29)11-26-28-12-14(10-17(19)28)13-4-6-15(23)7-5-13/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267804
PNG
(CHEMBL4070136)
Show SMILES CC(C)Oc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C24H32N6O2/c1-14(2)32-20-7-6-15(11-27-20)16-10-18-21(17(22(25)31)12-28-30(18)13-16)29-19-8-9-24(5,26)23(19,3)4/h6-7,10-14,19,29H,8-9,26H2,1-5H3,(H2,25,31)/t19-,24+/m1/s1
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Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267829
PNG
(CHEMBL4076191)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2F)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26FN5O/c1-21(2)18(8-9-22(21,3)25)27-19-15(20(24)29)11-26-28-12-13(10-17(19)28)14-6-4-5-7-16(14)23/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM141474
PNG
(US8921368, 195)
Show SMILES Cc1ccncc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C22H28N6O/c1-13-6-8-25-10-15(13)14-9-17-19(16(20(23)29)11-26-28(17)12-14)27-18-5-7-22(4,24)21(18,2)3/h6,8-12,18,27H,5,7,24H2,1-4H3,(H2,23,29)/t18-,22+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267836
PNG
(CHEMBL4105015)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2Cl)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26ClN5O/c1-21(2)18(8-9-22(21,3)25)27-19-15(20(24)29)11-26-28-12-13(10-17(19)28)14-6-4-5-7-16(14)23/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267839
PNG
(CHEMBL4076823)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc(Cl)c2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26ClN5O/c1-21(2)18(7-8-22(21,3)25)27-19-16(20(24)29)11-26-28-12-14(10-17(19)28)13-5-4-6-15(23)9-13/h4-6,9-12,18,27H,7-8,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267806
PNG
(CHEMBL4071255)
Show SMILES COc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(9-10-23(22,3)25)27-20-16(21(24)29)12-26-28-13-14(11-17(20)28)15-7-5-6-8-18(15)30-4/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267828
PNG
(CHEMBL4078773)
Show SMILES COc1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(9-10-23(22,3)25)27-20-17(21(24)29)12-26-28-13-15(11-18(20)28)14-5-7-16(30-4)8-6-14/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267829
PNG
(CHEMBL4076191)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2F)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26FN5O/c1-21(2)18(8-9-22(21,3)25)27-19-15(20(24)29)11-26-28-12-13(10-17(19)28)14-6-4-5-7-16(14)23/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267830
PNG
(CHEMBL4071806)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc(F)c2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26FN5O/c1-21(2)18(7-8-22(21,3)25)27-19-16(20(24)29)11-26-28-12-14(10-17(19)28)13-5-4-6-15(23)9-13/h4-6,9-12,18,27H,7-8,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267846
PNG
(CHEMBL4083798)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2C#N)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C23H26N6O/c1-22(2)19(8-9-23(22,3)26)28-20-17(21(25)30)12-27-29-13-15(10-18(20)29)16-7-5-4-6-14(16)11-24/h4-7,10,12-13,19,28H,8-9,26H2,1-3H3,(H2,25,30)/t19-,23+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267854
PNG
(CHEMBL4060984)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cc[nH]n2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C19H25N7O/c1-18(2)15(4-6-19(18,3)21)24-16-12(17(20)27)9-23-26-10-11(8-14(16)26)13-5-7-22-25-13/h5,7-10,15,24H,4,6,21H2,1-3H3,(H2,20,27)(H,22,25)/t15-,19+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267850
PNG
(CHEMBL4104127)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccnc(F)c2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C21H25FN6O/c1-20(2)16(4-6-21(20,3)24)27-18-14(19(23)29)10-26-28-11-13(8-15(18)28)12-5-7-25-17(22)9-12/h5,7-11,16,27H,4,6,24H2,1-3H3,(H2,23,29)/t16-,21+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267854
PNG
(CHEMBL4060984)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cc[nH]n2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C19H25N7O/c1-18(2)15(4-6-19(18,3)21)24-16-12(17(20)27)9-23-26-10-11(8-14(16)26)13-5-7-22-25-13/h5,7-10,15,24H,4,6,21H2,1-3H3,(H2,20,27)(H,22,25)/t15-,19+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267810
PNG
(CHEMBL4068856)
Show SMILES Cc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O/c1-14-7-5-6-8-16(14)15-11-18-20(17(21(24)29)12-26-28(18)13-15)27-19-9-10-23(4,25)22(19,2)3/h5-8,11-13,19,27H,9-10,25H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267846
PNG
(CHEMBL4083798)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2C#N)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C23H26N6O/c1-22(2)19(8-9-23(22,3)26)28-20-17(21(25)30)12-27-29-13-15(10-18(20)29)16-7-5-4-6-14(16)11-24/h4-7,10,12-13,19,28H,8-9,26H2,1-3H3,(H2,25,30)/t19-,23+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267797
PNG
(CHEMBL4080797)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C22H28N6O2/c1-21(2)17(7-8-22(21,3)24)27-19-15(20(23)29)11-26-28-12-14(9-16(19)28)13-5-6-18(30-4)25-10-13/h5-6,9-12,17,27H,7-8,24H2,1-4H3,(H2,23,29)/t17-,22+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267838
PNG
(CHEMBL4088673)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cncc(F)c2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C21H25FN6O/c1-20(2)17(4-5-21(20,3)24)27-18-15(19(23)29)10-26-28-11-13(7-16(18)28)12-6-14(22)9-25-8-12/h6-11,17,27H,4-5,24H2,1-3H3,(H2,23,29)/t17-,21+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267837
PNG
(CHEMBL4060444)
Show SMILES Cc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C22H28N6O/c1-13-5-6-14(10-25-13)15-9-17-19(16(20(23)29)11-26-28(17)12-15)27-18-7-8-22(4,24)21(18,2)3/h5-6,9-12,18,27H,7-8,24H2,1-4H3,(H2,23,29)/t18-,22+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50267835
PNG
(CHEMBL4077508)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(F)cc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26FN5O/c1-21(2)18(8-9-22(21,3)25)27-19-16(20(24)29)11-26-28-12-14(10-17(19)28)13-4-6-15(23)7-5-13/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267796
PNG
(CHEMBL4098840)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(F)nc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C21H25FN6O/c1-20(2)16(6-7-21(20,3)24)27-18-14(19(23)29)10-26-28-11-13(8-15(18)28)12-4-5-17(22)25-9-12/h4-5,8-11,16,27H,6-7,24H2,1-3H3,(H2,23,29)/t16-,21+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50267849
PNG
(CHEMBL4069127)
Show SMILES COc1cc(ccn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C22H28N6O2/c1-21(2)17(5-7-22(21,3)24)27-19-15(20(23)29)11-26-28-12-14(9-16(19)28)13-6-8-25-18(10-13)30-4/h6,8-12,17,27H,5,7,24H2,1-4H3,(H2,23,29)/t17-,22+/m1/s1
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Article
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n/an/a 2.30n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay


Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair
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