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Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with all data for entry = 6609   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141485
PNG
(US8921368, 293)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26N4O2/c1-21(2)18(9-10-22(21,3)28)25-19-16(20(23)27)12-24-26-13-15(11-17(19)26)14-7-5-4-6-8-14/h4-8,11-13,18,25,28H,9-10H2,1-3H3,(H2,23,27)/t18-,22-/m1/s1
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n/an/a 0.100n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141485
PNG
(US8921368, 293)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C22H26N4O2/c1-21(2)18(9-10-22(21,3)28)25-19-16(20(23)27)12-24-26-13-15(11-17(19)26)14-7-5-4-6-8-14/h4-8,11-13,18,25,28H,9-10H2,1-3H3,(H2,23,27)/t18-,22-/m1/s1
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n/an/a 0.200n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141459
PNG
(US8921368, 123)
Show SMILES CC1(CCCC1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O)C#N
Show InChI InChI=1S/C21H21N5O/c1-21(13-22)9-5-8-18(21)25-19-16(20(23)27)11-24-26-12-15(10-17(19)26)14-6-3-2-4-7-14/h2-4,6-7,10-12,18,25H,5,8-9H2,1H3,(H2,23,27)
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n/an/a 0.200n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141480
PNG
(US8921368, 271)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(CO)cc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(8-9-23(22,3)25)27-20-17(21(24)30)11-26-28-12-16(10-18(20)28)15-6-4-14(13-29)5-7-15/h4-7,10-12,19,27,29H,8-9,13,25H2,1-3H3,(H2,24,30)/t19-,23+/m1/s1
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n/an/a 0.300n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141498
PNG
(US8921368, 338)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(C(N)=O)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H28N6O3/c1-22(2)17(7-8-23(22,3)21(25)31)28-19-15(20(24)30)11-27-29-12-14(9-16(19)29)13-5-6-18(32-4)26-10-13/h5-6,9-12,17,28H,7-8H2,1-4H3,(H2,24,30)(H2,25,31)/t17-,23-/m1/s1
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n/an/a 0.300n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141456
PNG
(US8921368, 72)
Show SMILES Cc1cccc(c1)-c1cc2c(N[C@@H]3CCC[C@]3(C)F)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C21H23FN4O/c1-13-5-3-6-14(9-13)15-10-17-19(25-18-7-4-8-21(18,2)22)16(20(23)27)11-24-26(17)12-15/h3,5-6,9-12,18,25H,4,7-8H2,1-2H3,(H2,23,27)/t18-,21+/m1/s1
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n/an/a 0.300n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141497
PNG
(US8921368, 337)
Show SMILES CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C23H27N5O2/c1-22(2)18(9-10-23(22,3)21(25)30)27-19-16(20(24)29)12-26-28-13-15(11-17(19)28)14-7-5-4-6-8-14/h4-8,11-13,18,27H,9-10H2,1-3H3,(H2,24,29)(H2,25,30)/t18-,23-/m1/s1
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n/an/a 0.400n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
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 0.5n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141463
PNG
(US8921368, 159)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)N1CCCC1=O)C(N)=O |r|
Show InChI InChI=1S/C18H22FN5O2/c1-18(19)6-2-4-14(18)22-16-12(17(20)26)9-21-24-10-11(8-13(16)24)23-7-3-5-15(23)25/h8-10,14,22H,2-7H2,1H3,(H2,20,26)/t14-,18+/m1/s1
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n/an/a 0.5n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141488
PNG
(US8921368, 304)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C21H24N4O/c1-21(2)10-6-9-18(21)24-19-16(20(22)26)12-23-25-13-15(11-17(19)25)14-7-4-3-5-8-14/h3-5,7-8,11-13,18,24H,6,9-10H2,1-2H3,(H2,22,26)/t18-/m1/s1
PDB

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n/an/a 0.5n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141457
PNG
(US8921368, 94)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1cccc(c1)C(N)=O)C(N)=O |r|
Show InChI InChI=1S/C21H22FN5O2/c1-21(22)7-3-6-17(21)26-18-15(20(24)29)10-25-27-11-14(9-16(18)27)12-4-2-5-13(8-12)19(23)28/h2,4-5,8-11,17,26H,3,6-7H2,1H3,(H2,23,28)(H2,24,29)/t17-,21+/m1/s1
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n/an/a 0.5n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141479
PNG
(US8921368, 266)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C25H32N6O2/c1-24(2)20(10-11-25(24,3)27)29-21-18(22(26)32)13-28-31-14-17(12-19(21)31)15-6-8-16(9-7-15)23(33)30(4)5/h6-9,12-14,20,29H,10-11,27H2,1-5H3,(H2,26,32)/t20-,25+/m1/s1
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n/an/a 0.600n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
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/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141476
PNG
(US8921368, 221)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C(=O)NC2CC2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C26H32N6O2/c1-25(2)21(10-11-26(25,3)28)31-22-19(23(27)33)13-29-32-14-17(12-20(22)32)15-4-6-16(7-5-15)24(34)30-18-8-9-18/h4-7,12-14,18,21,31H,8-11,28H2,1-3H3,(H2,27,33)(H,30,34)/t21-,26+/m1/s1
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n/an/a 0.700n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141480
PNG
(US8921368, 271)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(CO)cc2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(8-9-23(22,3)25)27-20-17(21(24)30)11-26-28-12-16(10-18(20)28)15-6-4-14(13-29)5-7-15/h4-7,10-12,19,27,29H,8-9,13,25H2,1-3H3,(H2,24,30)/t19-,23+/m1/s1
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n/an/a 0.700n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141479
PNG
(US8921368, 266)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C25H32N6O2/c1-24(2)20(10-11-25(24,3)27)29-21-18(22(26)32)13-28-31-14-17(12-19(21)31)15-6-8-16(9-7-15)23(33)30(4)5/h6-9,12-14,20,29H,10-11,27H2,1-5H3,(H2,26,32)/t20-,25+/m1/s1
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n/an/a 0.800n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141449
PNG
(US8921368, 7)
Show SMILES CC(=O)Nc1cc2c(N[C@@H]3CC[C@@](C)(O)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C18H25N5O3/c1-10(24)21-11-7-13-15(12(16(19)25)8-20-23(13)9-11)22-14-5-6-18(4,26)17(14,2)3/h7-9,14,22,26H,5-6H2,1-4H3,(H2,19,25)(H,21,24)/t14-,18-/m1/s1
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n/an/a 0.900n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141460
PNG
(US8921368, 129)
Show SMILES CC1(C)[C@@H](CC[C@]1(C)NS(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O3S/c1-22(2)19(10-11-23(22,3)27-32(4,30)31)26-20-17(21(24)29)13-25-28-14-16(12-18(20)28)15-8-6-5-7-9-15/h5-9,12-14,19,26-27H,10-11H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 1n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141470
PNG
(US8921368, 178)
Show SMILES COc1ccccc1-c1cc2c(NC3C4CC5CC3CC(O)(C5)C4)c(cnn2c1)C(N)=O |TLB:21:20:13:15.16.17,12:13:15:20.22.23,12:13:20.19.23:15.16.17,THB:22:20:13:15.16.17,22:16:13:20.19.23,19:20:15:13.18.17,19:18:15:20.22.23,(-1.54,-5.36,;-3.08,-5.36,;-3.85,-4.03,;-5.39,-4.03,;-6.16,-2.7,;-5.39,-1.36,;-3.85,-1.36,;-3.08,-2.7,;-1.54,-2.7,;-.64,-1.45,;.83,-1.93,;2.16,-1.16,;2.16,.38,;.83,1.15,;-.01,3.05,;-.01,4.59,;-1.34,5.36,;-.58,4.2,;-.57,1.8,;-1.77,1.13,;-2.67,3.05,;-4,2.28,;-2.67,4.59,;-1.34,2.28,;3.49,-1.93,;3.49,-3.47,;2.16,-4.24,;.83,-3.47,;-.64,-3.94,;4.83,-1.16,;6.16,-1.93,;4.83,.38,)|
Show InChI InChI=1S/C25H28N4O3/c1-32-21-5-3-2-4-18(21)17-8-20-23(19(24(26)30)12-27-29(20)13-17)28-22-15-6-14-7-16(22)11-25(31,9-14)10-15/h2-5,8,12-16,22,28,31H,6-7,9-11H2,1H3,(H2,26,30)
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n/an/a 1n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141500
PNG
(US8921368, 340)
Show SMILES CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccc(nc1)C#N)C(N)=O |r|
Show InChI InChI=1S/C23H25N7O2/c1-22(2)18(6-7-23(22,3)21(26)32)29-19-16(20(25)31)11-28-30-12-14(8-17(19)30)13-4-5-15(9-24)27-10-13/h4-5,8,10-12,18,29H,6-7H2,1-3H3,(H2,25,31)(H2,26,32)/t18-,23-/m1/s1
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n/an/a 1n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141459
PNG
(US8921368, 123)
Show SMILES CC1(CCCC1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O)C#N
Show InChI InChI=1S/C21H21N5O/c1-21(13-22)9-5-8-18(21)25-19-16(20(23)27)11-24-26-12-15(10-17(19)26)14-6-3-2-4-7-14/h2-4,6-7,10-12,18,25H,5,8-9H2,1H3,(H2,23,27)
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n/an/a 1n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141498
PNG
(US8921368, 338)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(C(N)=O)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H28N6O3/c1-22(2)17(7-8-23(22,3)21(25)31)28-19-15(20(24)30)11-27-29-12-14(9-16(19)29)13-5-6-18(32-4)26-10-13/h5-6,9-12,17,28H,7-8H2,1-4H3,(H2,24,30)(H2,25,31)/t17-,23-/m1/s1
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n/an/a 1.20n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141456
PNG
(US8921368, 72)
Show SMILES Cc1cccc(c1)-c1cc2c(N[C@@H]3CCC[C@]3(C)F)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C21H23FN4O/c1-13-5-3-6-14(9-13)15-10-17-19(25-18-7-4-8-21(18,2)22)16(20(23)27)11-24-26(17)12-15/h3,5-6,9-12,18,25H,4,7-8H2,1-2H3,(H2,23,27)/t18-,21+/m1/s1
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n/an/a 1.30n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
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/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141457
PNG
(US8921368, 94)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1cccc(c1)C(N)=O)C(N)=O |r|
Show InChI InChI=1S/C21H22FN5O2/c1-21(22)7-3-6-17(21)26-18-15(20(24)29)10-25-27-11-14(9-16(18)27)12-4-2-5-13(8-12)19(23)28/h2,4-5,8-11,17,26H,3,6-7H2,1H3,(H2,23,28)(H2,24,29)/t17-,21+/m1/s1
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n/an/a 1.40n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141497
PNG
(US8921368, 337)
Show SMILES CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C23H27N5O2/c1-22(2)18(9-10-23(22,3)21(25)30)27-19-16(20(24)29)12-26-28-13-15(11-17(19)28)14-7-5-4-6-8-14/h4-8,11-13,18,27H,9-10H2,1-3H3,(H2,24,29)(H2,25,30)/t18-,23-/m1/s1
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n/an/a 1.40n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141476
PNG
(US8921368, 221)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C(=O)NC2CC2)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C26H32N6O2/c1-25(2)21(10-11-26(25,3)28)31-22-19(23(27)33)13-29-32-14-17(12-20(22)32)15-4-6-16(7-5-15)24(34)30-18-8-9-18/h4-7,12-14,18,21,31H,8-11,28H2,1-3H3,(H2,27,33)(H,30,34)/t21-,26+/m1/s1
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n/an/a 1.60n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141466
PNG
(US8921368, 167)
Show SMILES C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1ccc(cc1)[N+]#[C-])C(N)=O |r,wU:5.8,1.1,wD:1.0,(-1.63,3.47,;-.3,2.69,;-.3,4.23,;-.3,1.15,;1.03,.38,;2.37,1.15,;2.37,2.69,;1.03,3.47,;3.7,.38,;3.7,-1.15,;5.03,-1.93,;5.03,-3.47,;3.7,-4.23,;2.37,-3.47,;.9,-3.94,;-0,-2.69,;.9,-1.45,;2.37,-1.93,;-1.54,-2.69,;-2.31,-1.36,;-3.85,-1.36,;-4.68,-2.69,;-3.85,-4.03,;-2.31,-4.03,;-6.22,-2.69,;-7.76,-2.69,;6.37,-1.15,;7.7,-1.93,;6.37,.38,)|
Show InChI InChI=1S/C22H23N5O2/c1-22(29)9-7-17(8-10-22)26-20-18(21(23)28)12-25-27-13-15(11-19(20)27)14-3-5-16(24-2)6-4-14/h3-6,11-13,17,26,29H,7-10H2,1H3,(H2,23,28)/t17-,22+
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n/an/a 1.60n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141494
PNG
(US8921368, 328)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)N2CCCC2=O)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C20H28N6O2/c1-19(2)15(6-7-20(19,3)22)24-17-13(18(21)28)10-23-26-11-12(9-14(17)26)25-8-4-5-16(25)27/h9-11,15,24H,4-8,22H2,1-3H3,(H2,21,28)/t15-,20+/m1/s1
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n/an/a 1.70n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141496
PNG
(US8921368, 336)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(NS(C)(=O)=O)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H30N6O4S/c1-22(2)18(8-9-23(22,3)28-34(5,31)32)27-20-16(21(24)30)12-26-29-13-15(10-17(20)29)14-6-7-19(33-4)25-11-14/h6-7,10-13,18,27-28H,8-9H2,1-5H3,(H2,24,30)/t18-,23+/m1/s1
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n/an/a 1.70n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141499
PNG
(US8921368, 339)
Show SMILES CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccc(F)nc1)C(N)=O |r|
Show InChI InChI=1S/C22H25FN6O2/c1-21(2)16(6-7-22(21,3)20(25)31)28-18-14(19(24)30)10-27-29-11-13(8-15(18)29)12-4-5-17(23)26-9-12/h4-5,8-11,16,28H,6-7H2,1-3H3,(H2,24,30)(H2,25,31)/t16-,22-/m1/s1
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n/an/a 1.90n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141486
PNG
(US8921368, 298)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC12CC3CC(O)(CC(O)(C3)C1)C2)-c1ccc(F)cc1 |TLB:24:13:22:17.19.16,18:17:14:22.20.23,THB:19:17:14:22.20.23,19:20:14:17.24.16,24:17:22:14.13.23,12:13:22:17.19.16|
Show InChI InChI=1S/C24H25FN4O3/c25-17-3-1-15(2-4-17)16-5-19-20(18(21(26)30)9-27-29(19)10-16)28-22-6-14-7-23(31,11-22)13-24(32,8-14)12-22/h1-5,9-10,14,28,31-32H,6-8,11-13H2,(H2,26,30)
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n/an/a 2.10n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141499
PNG
(US8921368, 339)
Show SMILES CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccc(F)nc1)C(N)=O |r|
Show InChI InChI=1S/C22H25FN6O2/c1-21(2)16(6-7-22(21,3)20(25)31)28-18-14(19(24)30)10-27-29-11-13(8-15(18)29)12-4-5-17(23)26-9-12/h4-5,8-11,16,28H,6-7H2,1-3H3,(H2,24,30)(H2,25,31)/t16-,22-/m1/s1
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n/an/a 2.20n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141460
PNG
(US8921368, 129)
Show SMILES CC1(C)[C@@H](CC[C@]1(C)NS(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C23H29N5O3S/c1-22(2)19(10-11-23(22,3)27-32(4,30)31)26-20-17(21(24)29)13-25-28-14-16(12-18(20)28)15-8-6-5-7-9-15/h5-9,12-14,19,26-27H,10-11H2,1-4H3,(H2,24,29)/t19-,23+/m1/s1
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n/an/a 2.60n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141477
PNG
(US8921368, 255)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2C(N)=O)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C23H28N6O2/c1-22(2)18(8-9-23(22,3)26)28-19-16(21(25)31)11-27-29-12-13(10-17(19)29)14-6-4-5-7-15(14)20(24)30/h4-7,10-12,18,28H,8-9,26H2,1-3H3,(H2,24,30)(H2,25,31)/t18-,23+/m1/s1
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n/an/a 2.70n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141488
PNG
(US8921368, 304)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C21H24N4O/c1-21(2)10-6-9-18(21)24-19-16(20(22)26)12-23-25-13-15(11-17(19)25)14-7-4-3-5-8-14/h3-5,7-8,11-13,18,24H,6,9-10H2,1-2H3,(H2,22,26)/t18-/m1/s1
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n/an/a 2.90n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141463
PNG
(US8921368, 159)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)N1CCCC1=O)C(N)=O |r|
Show InChI InChI=1S/C18H22FN5O2/c1-18(19)6-2-4-14(18)22-16-12(17(20)26)9-21-24-10-11(8-13(16)24)23-7-3-5-15(23)25/h8-10,14,22H,2-7H2,1H3,(H2,20,26)/t14-,18+/m1/s1
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n/an/a 3.80n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141484
PNG
(US8921368, 286)
Show SMILES COc1cncc(c1)-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)18(5-6-22(21,3)24)27-19-16(20(23)29)11-26-28-12-14(8-17(19)28)13-7-15(30-4)10-25-9-13/h7-12,18,27H,5-6,24H2,1-4H3,(H2,23,29)/t18-,22+/m1/s1
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n/an/a 4.10n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141496
PNG
(US8921368, 336)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(NS(C)(=O)=O)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C23H30N6O4S/c1-22(2)18(8-9-23(22,3)28-34(5,31)32)27-20-16(21(24)30)12-26-29-13-15(10-17(20)29)14-6-7-19(33-4)25-11-14/h6-7,10-13,18,27-28H,8-9H2,1-5H3,(H2,24,30)/t18-,23+/m1/s1
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n/an/a 4.30n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141487
PNG
(US8921368, 299)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC12CC3CC(O)(CC(O)(C3)C1)C2)-c1ccc2scnc2c1 |TLB:24:13:22:17.19.16,18:17:14:22.20.23,THB:19:17:14:22.20.23,19:20:14:17.24.16,24:17:22:14.13.23,12:13:22:17.19.16|
Show InChI InChI=1S/C25H25N5O3S/c26-22(31)17-8-28-30-9-16(15-1-2-20-18(3-15)27-13-34-20)4-19(30)21(17)29-23-5-14-6-24(32,10-23)12-25(33,7-14)11-23/h1-4,8-9,13-14,29,32-33H,5-7,10-12H2,(H2,26,31)
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n/an/a 4.30n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141486
PNG
(US8921368, 298)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC12CC3CC(O)(CC(O)(C3)C1)C2)-c1ccc(F)cc1 |TLB:24:13:22:17.19.16,18:17:14:22.20.23,THB:19:17:14:22.20.23,19:20:14:17.24.16,24:17:22:14.13.23,12:13:22:17.19.16|
Show InChI InChI=1S/C24H25FN4O3/c25-17-3-1-15(2-4-17)16-5-19-20(18(21(26)30)9-27-29(19)10-16)28-22-6-14-7-23(31,11-22)13-24(32,8-14)12-22/h1-5,9-10,14,28,31-32H,6-8,11-13H2,(H2,26,30)
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n/an/a 4.70n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141490
PNG
(US8921368, 314)
Show SMILES C[C@]1(O)CCCC[C@@H]1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C21H24N4O2/c1-21(27)10-6-5-9-18(21)24-19-16(20(22)26)12-23-25-13-15(11-17(19)25)14-7-3-2-4-8-14/h2-4,7-8,11-13,18,24,27H,5-6,9-10H2,1H3,(H2,22,26)/t18-,21-/m0/s1
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n/an/a 5.10n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141481
PNG
(US8921368, 272)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc3ncccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C25H28N6O/c1-24(2)21(9-10-25(24,3)27)30-22-18(23(26)32)13-29-31-14-15(12-20(22)31)16-6-4-8-19-17(16)7-5-11-28-19/h4-8,11-14,21,30H,9-10,27H2,1-3H3,(H2,26,32)/t21-,25+/m1/s1
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n/an/a 5.40n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141484
PNG
(US8921368, 286)
Show SMILES COc1cncc(c1)-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)18(5-6-22(21,3)24)27-19-16(20(23)29)11-26-28-12-14(8-17(19)28)13-7-15(30-4)10-25-9-13/h7-12,18,27H,5-6,24H2,1-4H3,(H2,23,29)/t18-,22+/m1/s1
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n/an/a 5.5n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141461
PNG
(US8921368, 142)
Show SMILES Cn1nccc1-c1cc2c(N[C@@H]3C[C@@H](O)[C@@H](O)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C19H24N6O3/c1-19(2)15(7-14(26)17(19)27)23-16-11(18(20)28)8-22-25-9-10(6-13(16)25)12-4-5-21-24(12)3/h4-6,8-9,14-15,17,23,26-27H,7H2,1-3H3,(H2,20,28)/t14-,15-,17-/m1/s1
PDB

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n/an/a 5.60n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM141500
PNG
(US8921368, 340)
Show SMILES CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccc(nc1)C#N)C(N)=O |r|
Show InChI InChI=1S/C23H25N7O2/c1-22(2)18(6-7-23(22,3)21(26)32)29-19-16(20(25)31)11-28-30-12-14(8-17(19)30)13-4-5-15(9-24)27-10-13/h4-5,8,10-12,18,29H,6-7H2,1-3H3,(H2,25,31)(H2,26,32)/t18-,23-/m1/s1
PDB

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n/an/a 5.80n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM47077
PNG
(US8921368, 3)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(NS(C)(=O)=O)cc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C17H25N5O4S/c1-16(2)13(5-6-17(16,3)24)20-14-11(15(18)23)8-19-22-9-10(7-12(14)22)21-27(4,25)26/h7-9,13,20-21,24H,5-6H2,1-4H3,(H2,18,23)/t13-,17-/m1/s1
PDB

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n/an/a 6n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141477
PNG
(US8921368, 255)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2C(N)=O)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C23H28N6O2/c1-22(2)18(8-9-23(22,3)26)28-19-16(21(25)31)11-27-29-12-13(10-17(19)29)14-6-4-5-7-15(14)20(24)30/h4-7,10-12,18,28H,8-9,26H2,1-3H3,(H2,24,30)(H2,25,31)/t18-,23+/m1/s1
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n/an/a 6n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(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
PDB

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n/an/a 6.10n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM141472
PNG
(US8921368, 187)
Show SMILES Cc1ccc(cc1)-c1cc2c(NC3C4CC5CC3CC(O)(C5)C4)c(cnn2c1)C(N)=O |TLB:20:19:12:14.15.16,11:12:14:19.21.22,11:12:19.18.22:14.15.16,THB:21:19:12:14.15.16,21:15:12:19.18.22,18:19:14:12.17.16,18:17:14:19.21.22,(-6.93,-3.26,;-5.39,-3.26,;-4.62,-1.93,;-3.08,-1.93,;-2.31,-3.26,;-3.08,-4.59,;-4.62,-4.59,;-.77,-3.26,;.13,-2.01,;1.6,-2.49,;2.93,-1.72,;2.93,-.18,;1.6,.59,;.76,2.49,;.76,4.03,;-.57,4.8,;.19,3.63,;.2,1.23,;-1,.57,;-1.9,2.49,;-3.23,1.72,;-1.9,4.03,;-.57,1.72,;4.26,-2.49,;4.26,-4.03,;2.93,-4.8,;1.6,-4.03,;.13,-4.51,;5.6,-1.72,;6.93,-2.49,;5.6,-.18,)|
Show InChI InChI=1S/C25H28N4O2/c1-14-2-4-16(5-3-14)19-8-21-23(20(24(26)30)12-27-29(21)13-19)28-22-17-6-15-7-18(22)11-25(31,9-15)10-17/h2-5,8,12-13,15,17-18,22,28,31H,6-7,9-11H2,1H3,(H2,26,30)
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n/an/a 6.10n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...

US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
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