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Patent code US8987268

Compile Data Set for Download or QSAR
Found 121 hits of Enzyme Inhibition Constant Data   
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))		BDBM151063
PNG
(US8987268, 184)
Show SMILES C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(=O)N2CC(F)(F)C2)c1)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C27H26F2N10O2/c1-16-9-36(23-3-2-17(5-30)6-32-23)12-21(16)35-25-20(26(31)41)8-34-39-11-18(4-22(25)39)19-7-33-38(10-19)13-24(40)37-14-27(28,29)15-37/h2-4,6-8,10-11,16,21,35H,9,12-15H2,1H3,(H2,31,41)/t16-,21+/m0/s1
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n/an/a 0.200n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151084
PNG
(US8987268, 183)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)c1ncc(s1)C#N
Show InChI InChI=1S/C25H29N9OS/c1-4-16-11-32(25-28-8-19(6-26)36-25)14-21(16)31-23-20(24(27)35)9-30-34-13-17(5-22(23)34)18-7-29-33(12-18)10-15(2)3/h5,7-9,12-13,15-16,21,31H,4,10-11,14H2,1-3H3,(H2,27,35)/t16-,21+/m0/s1
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n/an/a 0.200n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151040
PNG
(US8987268, 59)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1cnc(N)nc1)C(N)=O
Show InChI InChI=1S/C21H26N8O3S/c1-11-16-10-28(33(2,31)32)8-13(16)3-17(11)27-19-15(20(22)30)7-26-29-9-12(4-18(19)29)14-5-24-21(23)25-6-14/h4-7,9,11,13,16-17,27H,3,8,10H2,1-2H3,(H2,22,30)(H2,23,24,25)/t11-,13-,16-,17-/m1/s1
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n/an/a 0.200n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151051
PNG
(US8987268, 105)
Show SMILES CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CC[C@@H](O)C1=O)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C25H28N8O3/c1-25(2)14-31(21-4-3-15(10-26)11-28-21)7-6-20(25)30-22-17(23(27)35)12-29-33-13-16(9-18(22)33)32-8-5-19(34)24(32)36/h3-4,9,11-13,19-20,30,34H,5-8,14H2,1-2H3,(H2,27,35)/t19-,20-/m1/s1
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n/an/a 0.200n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151083
PNG
(US8987268, 182)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)c1ncc(s1)C#N
Show InChI InChI=1S/C22H23N9OS/c1-3-13-10-30(22-25-7-16(5-23)33-22)12-18(13)28-20-17(21(24)32)8-27-31-11-14(4-19(20)31)15-6-26-29(2)9-15/h4,6-9,11,13,18,28H,3,10,12H2,1-2H3,(H2,24,32)/t13-,18+/m0/s1
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n/an/a 0.300n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151072
PNG
(US8987268, 257)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(Cl)c1)C(N)=O)C(=O)C1(CCC1)C#N
Show InChI InChI=1S/C25H26ClN7O2/c1-2-15-11-32(24(35)25(14-27)5-3-6-25)13-19(15)31-22-18(23(28)34)10-30-33-12-17(8-20(22)33)16-4-7-29-21(26)9-16/h4,7-10,12,15,19,31H,2-3,5-6,11,13H2,1H3,(H2,28,34)/t15-,19+/m0/s1
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n/an/a 0.300n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151042
PNG
(US8987268, 61)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CO)Nc1c(cnn2cc(cc12)-c1ccc(cc1)C(N)=O)C(N)=O
Show InChI InChI=1S/C25H28N6O4/c1-13-19-11-30(22(33)12-32)9-17(19)6-20(13)29-23-18(25(27)35)8-28-31-10-16(7-21(23)31)14-2-4-15(5-3-14)24(26)34/h2-5,7-8,10,13,17,19-20,29,32H,6,9,11-12H2,1H3,(H2,26,34)(H2,27,35)/t13-,17-,19-,20-/m1/s1
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n/an/a 0.300n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151047
PNG
(US8987268, 70)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CO)Nc1c(cnn2cc(cc12)-c1ccc(cc1)C(=O)NC1CC1)C(N)=O
Show InChI InChI=1S/C28H32N6O4/c1-15-22-13-33(25(36)14-35)11-19(22)8-23(15)32-26-21(27(29)37)10-30-34-12-18(9-24(26)34)16-2-4-17(5-3-16)28(38)31-20-6-7-20/h2-5,9-10,12,15,19-20,22-23,32,35H,6-8,11,13-14H2,1H3,(H2,29,37)(H,31,38)/t15-,19-,22-,23-/m1/s1
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n/an/a 0.300n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151064
PNG
(US8987268, 185)
Show SMILES C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(=O)N2CCC(F)(F)C2)c1)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C28H28F2N10O2/c1-17-11-38(24-3-2-18(7-31)8-33-24)14-22(17)36-26-21(27(32)42)10-35-40-13-19(6-23(26)40)20-9-34-39(12-20)15-25(41)37-5-4-28(29,30)16-37/h2-3,6,8-10,12-13,17,22,36H,4-5,11,14-16H2,1H3,(H2,32,42)/t17-,22+/m0/s1
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n/an/a 0.300n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151049
PNG
(US8987268, 93)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(C)=O)Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O
Show InChI InChI=1S/C22H27N7O2/c1-12-18-11-28(13(2)30)9-15(18)4-19(12)26-21-17(22(23)31)7-25-29-10-14(5-20(21)29)16-6-24-27(3)8-16/h5-8,10,12,15,18-19,26H,4,9,11H2,1-3H3,(H2,23,31)/t12-,15-,18-,19-/m1/s1
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n/an/a 0.400n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151045
PNG
(US8987268, 67)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1nnn(C)n1)C(N)=O
Show InChI InChI=1S/C19H25N9O3S/c1-10-14-9-27(32(3,30)31)7-11(14)4-15(10)22-17-13(18(20)29)6-21-28-8-12(5-16(17)28)19-23-25-26(2)24-19/h5-6,8,10-11,14-15,22H,4,7,9H2,1-3H3,(H2,20,29)/t10-,11-,14-,15-/m1/s1
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n/an/a 0.400n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151047
PNG
(US8987268, 70)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CO)Nc1c(cnn2cc(cc12)-c1ccc(cc1)C(=O)NC1CC1)C(N)=O
Show InChI InChI=1S/C28H32N6O4/c1-15-22-13-33(25(36)14-35)11-19(22)8-23(15)32-26-21(27(29)37)10-30-34-12-18(9-24(26)34)16-2-4-17(5-3-16)28(38)31-20-6-7-20/h2-5,9-10,12,15,19-20,22-23,32,35H,6-8,11,13-14H2,1H3,(H2,29,37)(H,31,38)/t15-,19-,22-,23-/m1/s1
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n/an/a 0.400n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151044
PNG
(US8987268, 63)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3C[C@@H]4CN(C[C@@H]4[C@H]3C)C(=O)C(C)(C)O)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C27H33N7O4/c1-14-19-13-33(26(37)27(2,3)38)11-17(19)7-21(14)32-23-18(24(28)35)10-31-34-12-16(8-22(23)34)15-5-6-20(30-9-15)25(36)29-4/h5-6,8-10,12,14,17,19,21,32,38H,7,11,13H2,1-4H3,(H2,28,35)(H,29,36)/t14-,17-,19-,21-/m1/s1
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n/an/a 0.400n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151085
PNG
(US8987268, 188)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)c3ccc(Cl)cn3)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C24H26ClN9O2/c1-14-9-32(21-4-3-17(25)7-28-21)12-19(14)31-23-18(24(26)36)8-30-34-11-15(5-20(23)34)16-6-29-33(10-16)13-22(35)27-2/h3-8,10-11,14,19,31H,9,12-13H2,1-2H3,(H2,26,36)(H,27,35)/t14-,19+/m0/s1
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n/an/a 0.400n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151063
PNG
(US8987268, 184)
Show SMILES C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(=O)N2CC(F)(F)C2)c1)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C27H26F2N10O2/c1-16-9-36(23-3-2-17(5-30)6-32-23)12-21(16)35-25-20(26(31)41)8-34-39-11-18(4-22(25)39)19-7-33-38(10-19)13-24(40)37-14-27(28,29)15-37/h2-4,6-8,10-11,16,21,35H,9,12-15H2,1H3,(H2,31,41)/t16-,21+/m0/s1
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n/an/a 0.400n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151061
PNG
(US8987268, 173)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(=O)n(C)c1)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C26H26N8O2/c1-3-17-13-33(23-6-4-16(9-27)10-29-23)15-21(17)31-25-20(26(28)36)11-30-34-14-19(8-22(25)34)18-5-7-24(35)32(2)12-18/h4-8,10-12,14,17,21,31H,3,13,15H2,1-2H3,(H2,28,36)/t17-,21+/m0/s1
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n/an/a 0.400n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151042
PNG
(US8987268, 61)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CO)Nc1c(cnn2cc(cc12)-c1ccc(cc1)C(N)=O)C(N)=O
Show InChI InChI=1S/C25H28N6O4/c1-13-19-11-30(22(33)12-32)9-17(19)6-20(13)29-23-18(25(27)35)8-28-31-10-16(7-21(23)31)14-2-4-15(5-3-14)24(26)34/h2-5,7-8,10,13,17,19-20,29,32H,6,9,11-12H2,1H3,(H2,26,34)(H2,27,35)/t13-,17-,19-,20-/m1/s1
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n/an/a 0.400n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151076
PNG
(US8987268, 303)
Show SMILES CNC(=O)c1cccc(c1)-c1cc2c(N[C@@H]3CN(C[C@@H]3OC)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C26H27N7O4/c1-29-24(35)16-5-3-4-15(8-16)17-9-20-22(18(23(28)34)10-30-33(20)11-17)31-19-12-32(13-21(19)37-2)25(36)26(14-27)6-7-26/h3-5,8-11,19,21,31H,6-7,12-13H2,1-2H3,(H2,28,34)(H,29,35)/t19-,21+/m1/s1
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n/an/a 0.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151070
PNG
(US8987268, 239)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C22H31N7O3S/c1-5-15-11-28(33(4,31)32)13-19(15)26-21-18(22(23)30)8-25-29-12-16(6-20(21)29)17-7-24-27(10-17)9-14(2)3/h6-8,10,12,14-15,19,26H,5,9,11,13H2,1-4H3,(H2,23,30)/t15-,19+/m0/s1
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n/an/a 0.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151070
PNG
(US8987268, 239)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C22H31N7O3S/c1-5-15-11-28(33(4,31)32)13-19(15)26-21-18(22(23)30)8-25-29-12-16(6-20(21)29)17-7-24-27(10-17)9-14(2)3/h6-8,10,12,14-15,19,26H,5,9,11,13H2,1-4H3,(H2,23,30)/t15-,19+/m0/s1
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n/an/a 0.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151066
PNG
(US8987268, 201)
Show SMILES C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(F)c1)C(N)=O)C(=O)CC#N
Show InChI InChI=1S/C21H20FN7O2/c1-12-9-28(19(30)2-4-23)11-16(12)27-20-15(21(24)31)8-26-29-10-14(6-17(20)29)13-3-5-25-18(22)7-13/h3,5-8,10,12,16,27H,2,9,11H2,1H3,(H2,24,31)/t12-,16+/m0/s1
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n/an/a 0.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151075
PNG
(US8987268, 292)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cc(C)no1)C(N)=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H30N6O4/c1-6-14-10-28(22(31)32-23(3,4)5)12-17(14)26-20-16(21(24)30)9-25-29-11-15(8-18(20)29)19-7-13(2)27-33-19/h7-9,11,14,17,26H,6,10,12H2,1-5H3,(H2,24,30)/t14-,17+/m0/s1
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n/an/a 0.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151085
PNG
(US8987268, 188)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)c3ccc(Cl)cn3)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C24H26ClN9O2/c1-14-9-32(21-4-3-17(25)7-28-21)12-19(14)31-23-18(24(26)36)8-30-34-11-15(5-20(23)34)16-6-29-33(10-16)13-22(35)27-2/h3-8,10-11,14,19,31H,9,12-13H2,1-2H3,(H2,26,36)(H,27,35)/t14-,19+/m0/s1
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n/an/a 0.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151064
PNG
(US8987268, 185)
Show SMILES C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(=O)N2CCC(F)(F)C2)c1)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C28H28F2N10O2/c1-17-11-38(24-3-2-18(7-31)8-33-24)14-22(17)36-26-21(27(32)42)10-35-40-13-19(6-23(26)40)20-9-34-39(12-20)15-25(41)37-5-4-28(29,30)16-37/h2-3,6,8-10,12-13,17,22,36H,4-5,11,14-16H2,1H3,(H2,32,42)/t17-,22+/m0/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151040
PNG
(US8987268, 59)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1cnc(N)nc1)C(N)=O
Show InChI InChI=1S/C21H26N8O3S/c1-11-16-10-28(33(2,31)32)8-13(16)3-17(11)27-19-15(20(22)30)7-26-29-9-12(4-18(19)29)14-5-24-21(23)25-6-14/h4-7,9,11,13,16-17,27H,3,8,10H2,1-2H3,(H2,22,30)(H2,23,24,25)/t11-,13-,16-,17-/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151044
PNG
(US8987268, 63)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3C[C@@H]4CN(C[C@@H]4[C@H]3C)C(=O)C(C)(C)O)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C27H33N7O4/c1-14-19-13-33(26(37)27(2,3)38)11-17(19)7-21(14)32-23-18(24(28)35)10-31-34-12-16(8-22(23)34)15-5-6-20(30-9-15)25(36)29-4/h5-6,8-10,12,14,17,19,21,32,38H,7,11,13H2,1-4H3,(H2,28,35)(H,29,36)/t14-,17-,19-,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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151051
PNG
(US8987268, 105)
Show SMILES CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CC[C@@H](O)C1=O)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C25H28N8O3/c1-25(2)14-31(21-4-3-15(10-26)11-28-21)7-6-20(25)30-22-17(23(27)35)12-29-33-13-16(9-18(22)33)32-8-5-19(34)24(32)36/h3-4,9,11-13,19-20,30,34H,5-8,14H2,1-2H3,(H2,27,35)/t19-,20-/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151075
PNG
(US8987268, 292)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cc(C)no1)C(N)=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H30N6O4/c1-6-14-10-28(22(31)32-23(3,4)5)12-17(14)26-20-16(21(24)30)9-25-29-11-15(8-18(20)29)19-7-13(2)27-33-19/h7-9,11,14,17,26H,6,10,12H2,1-5H3,(H2,24,30)/t14-,17+/m0/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151061
PNG
(US8987268, 173)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(=O)n(C)c1)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C26H26N8O2/c1-3-17-13-33(23-6-4-16(9-27)10-29-23)15-21(17)31-25-20(26(28)36)11-30-34-14-19(8-22(25)34)18-5-7-24(35)32(2)12-18/h4-8,10-12,14,17,21,31H,3,13,15H2,1-2H3,(H2,28,36)/t17-,21+/m0/s1
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n/an/a 0.800n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151084
PNG
(US8987268, 183)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)c1ncc(s1)C#N
Show InChI InChI=1S/C25H29N9OS/c1-4-16-11-32(25-28-8-19(6-26)36-25)14-21(16)31-23-20(24(27)35)9-30-34-13-17(5-22(23)34)18-7-29-33(12-18)10-15(2)3/h5,7-9,12-13,15-16,21,31H,4,10-11,14H2,1-3H3,(H2,27,35)/t16-,21+/m0/s1
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n/an/a 0.800n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151083
PNG
(US8987268, 182)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)c1ncc(s1)C#N
Show InChI InChI=1S/C22H23N9OS/c1-3-13-10-30(22-25-7-16(5-23)33-22)12-18(13)28-20-17(21(24)32)8-27-31-11-14(4-19(20)31)15-6-26-29(2)9-15/h4,6-9,11,13,18,28H,3,10,12H2,1-2H3,(H2,24,32)/t13-,18+/m0/s1
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n/an/a 0.800n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151041
PNG
(US8987268, 60)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)N1CCN(C(C)=O)C1=O)C(N)=O
Show InChI InChI=1S/C22H29N7O5S/c1-12-17-11-26(35(3,33)34)9-14(17)6-18(12)25-20-16(21(23)31)8-24-29-10-15(7-19(20)29)28-5-4-27(13(2)30)22(28)32/h7-8,10,12,14,17-18,25H,4-6,9,11H2,1-3H3,(H2,23,31)/t12-,14-,17-,18-/m1/s1
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n/an/a 0.800n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151073
PNG
(US8987268, 280)
Show SMILES COc1ncc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C23H23FN8O3/c1-35-22-27-6-15(7-28-22)13-4-18-19(16(20(26)33)8-29-32(18)10-13)30-17-11-31(9-14(17)5-24)21(34)23(12-25)2-3-23/h4,6-8,10,14,17,30H,2-3,5,9,11H2,1H3,(H2,26,33)/t14-,17+/m0/s1
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n/an/a 0.900n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151039
PNG
(US8987268, 55)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CCN(CC3(C)C)C(=O)C(N)=O)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C23H27N7O4/c1-23(2)12-29(22(33)21(25)32)7-6-17(23)28-19-15(20(24)31)10-27-30-11-14(8-16(19)30)13-4-5-18(34-3)26-9-13/h4-5,8-11,17,28H,6-7,12H2,1-3H3,(H2,24,31)(H2,25,32)/t17-/m1/s1
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n/an/a 0.900n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151054
PNG
(US8987268, 126)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CCC#N)c1)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C22H28N8O3S/c1-3-15-13-29(34(2,32)33)8-5-19(15)27-21-18(22(24)31)11-26-30-14-16(9-20(21)30)17-10-25-28(12-17)7-4-6-23/h9-12,14-15,19,27H,3-5,7-8,13H2,1-2H3,(H2,24,31)/t15-,19-/m1/s1
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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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151043
PNG
(US8987268, 62)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)C(C)(C)O)Nc1c(cnn2cc(cc12)-c1cnc(N)nc1)C(N)=O
Show InChI InChI=1S/C24H30N8O3/c1-12-17-11-31(22(34)24(2,3)35)9-14(17)4-18(12)30-20-16(21(25)33)8-29-32-10-13(5-19(20)32)15-6-27-23(26)28-7-15/h5-8,10,12,14,17-18,30,35H,4,9,11H2,1-3H3,(H2,25,33)(H2,26,27,28)/t12-,14-,17-,18-/m1/s1
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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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151069
PNG
(US8987268, 221)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(C)nc1)C(N)=O)C(=O)C1(CC1)C#N
Show InChI InChI=1S/C25H27N7O2/c1-3-16-11-31(24(34)25(14-26)6-7-25)13-20(16)30-22-19(23(27)33)10-29-32-12-18(8-21(22)32)17-5-4-15(2)28-9-17/h4-5,8-10,12,16,20,30H,3,6-7,11,13H2,1-2H3,(H2,27,33)/t16-,20+/m0/s1
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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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151077
PNG
(US8987268, 305)
Show SMILES CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(F)cc1)C(N)=O)C(=O)C1(CC1)C#N
Show InChI InChI=1S/C24H23FN6O3/c1-34-20-12-30(23(33)24(13-26)6-7-24)11-18(20)29-21-17(22(27)32)9-28-31-10-15(8-19(21)31)14-2-4-16(25)5-3-14/h2-5,8-10,18,20,29H,6-7,11-12H2,1H3,(H2,27,32)/t18-,20+/m1/s1
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n/an/a 1.10n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151068
PNG
(US8987268, 220)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cn(C)nc1C)C(N)=O)C(=O)C1(CC1)C#N
Show InChI InChI=1S/C24H28N8O2/c1-4-15-9-31(23(34)24(13-25)5-6-24)12-19(15)28-21-17(22(26)33)8-27-32-10-16(7-20(21)32)18-11-30(3)29-14(18)2/h7-8,10-11,15,19,28H,4-6,9,12H2,1-3H3,(H2,26,33)/t15-,19+/m0/s1
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n/an/a 1.10n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151072
PNG
(US8987268, 257)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(Cl)c1)C(N)=O)C(=O)C1(CCC1)C#N
Show InChI InChI=1S/C25H26ClN7O2/c1-2-15-11-32(24(35)25(14-27)5-3-6-25)13-19(15)31-22-18(23(28)34)10-30-33-12-17(8-20(22)33)16-4-7-29-21(26)9-16/h4,7-10,12,15,19,31H,2-3,5-6,11,13H2,1H3,(H2,28,34)/t15-,19+/m0/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151046
PNG
(US8987268, 69)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CF)Nc1c(cnn2cc(cc12)-c1cnc(N)c(F)c1)C(N)=O
Show InChI InChI=1S/C23H25F2N7O2/c1-11-16-10-31(20(33)5-24)8-14(16)3-18(11)30-21-15(23(27)34)7-29-32-9-13(4-19(21)32)12-2-17(25)22(26)28-6-12/h2,4,6-7,9,11,14,16,18,30H,3,5,8,10H2,1H3,(H2,26,28)(H2,27,34)/t11-,14-,16-,18-/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151045
PNG
(US8987268, 67)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)-c1nnn(C)n1)C(N)=O
Show InChI InChI=1S/C19H25N9O3S/c1-10-14-9-27(32(3,30)31)7-11(14)4-15(10)22-17-13(18(20)29)6-21-28-8-12(5-16(17)28)19-23-25-26(2)24-19/h5-6,8,10-11,14-15,22H,4,7,9H2,1-3H3,(H2,20,29)/t10-,11-,14-,15-/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151038
PNG
(BDBM151081 | US8987268, 52)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)C(=O)CC#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C22H23N7O3/c1-13-10-28(20(30)5-6-23)12-17(13)27-21-16(22(24)31)9-26-29-11-15(7-18(21)29)14-3-4-19(32-2)25-8-14/h3-4,7-9,11,13,17,27H,5,10,12H2,1-2H3,(H2,24,31)/t13-,17+/m0/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151053
PNG
(US8987268, 122)
Show SMILES CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CCC(CCCC([O-])=O)C1=O)C(N)=O)c1ncc(cn1)C#N
Show InChI InChI=1S/C28H33N9O4/c1-28(2)16-35(27-31-12-17(11-29)13-32-27)8-7-22(28)34-24-20(25(30)40)14-33-37-15-19(10-21(24)37)36-9-6-18(26(36)41)4-3-5-23(38)39/h10,12-15,18,22,34H,3-9,16H2,1-2H3,(H2,30,40)(H,38,39)/p-1/t18?,22-/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151058
PNG
(US8987268, 137)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)C(=O)[C@H](C)O
Show InChI InChI=1S/C25H35N7O3/c1-5-17-12-30(25(35)16(4)33)7-6-21(17)29-23-20(24(26)34)10-28-32-14-18(8-22(23)32)19-9-27-31(13-19)11-15(2)3/h8-10,13-17,21,29,33H,5-7,11-12H2,1-4H3,(H2,26,34)/t16-,17+,21+/m0/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151069
PNG
(US8987268, 221)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(C)nc1)C(N)=O)C(=O)C1(CC1)C#N
Show InChI InChI=1S/C25H27N7O2/c1-3-16-11-31(24(34)25(14-26)6-7-25)13-20(16)30-22-19(23(27)33)10-29-32-12-18(8-21(22)32)17-5-4-15(2)28-9-17/h4-5,8-10,12,16,20,30H,3,6-7,11,13H2,1-2H3,(H2,27,33)/t16-,20+/m0/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151066
PNG
(US8987268, 201)
Show SMILES C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(F)c1)C(N)=O)C(=O)CC#N
Show InChI InChI=1S/C21H20FN7O2/c1-12-9-28(19(30)2-4-23)11-16(12)27-20-15(21(24)31)8-26-29-10-14(6-17(20)29)13-3-5-25-18(22)7-13/h3,5-8,10,12,16,27H,2,9,11H2,1H3,(H2,24,31)/t12-,16+/m0/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151048
PNG
(US8987268, 83)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)C(C)(C)O)Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O
Show InChI InChI=1S/C24H31N7O3/c1-13-18-12-30(23(33)24(2,3)34)10-15(18)5-19(13)28-21-17(22(25)32)8-27-31-11-14(6-20(21)31)16-7-26-29(4)9-16/h6-9,11,13,15,18-19,28,34H,5,10,12H2,1-4H3,(H2,25,32)/t13-,15-,18-,19-/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151050
PNG
(US8987268, 97)
Show SMILES CCC(=O)N1C[C@H]2C[C@@H](Nc3c(cnn4cc(cc34)-c3ccc(F)nc3)C(N)=O)[C@H](C)[C@H]2C1
Show InChI InChI=1S/C24H27FN6O2/c1-3-22(32)30-10-16-6-19(13(2)18(16)12-30)29-23-17(24(26)33)9-28-31-11-15(7-20(23)31)14-4-5-21(25)27-8-14/h4-5,7-9,11,13,16,18-19,29H,3,6,10,12H2,1-2H3,(H2,26,33)/t13-,16-,18-,19-/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151065
PNG
(US8987268, 194)
Show SMILES C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(F)nc1)C(N)=O)C(=O)CC#N
Show InChI InChI=1S/C21H20FN7O2/c1-12-9-28(19(30)4-5-23)11-16(12)27-20-15(21(24)31)8-26-29-10-14(6-17(20)29)13-2-3-18(22)25-7-13/h2-3,6-8,10,12,16,27H,4,9,11H2,1H3,(H2,24,31)/t12-,16+/m0/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151048
PNG
(US8987268, 83)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)C(C)(C)O)Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O
Show InChI InChI=1S/C24H31N7O3/c1-13-18-12-30(23(33)24(2,3)34)10-15(18)5-19(13)28-21-17(22(25)32)8-27-31-11-14(6-20(21)31)16-7-26-29(4)9-16/h6-9,11,13,15,18-19,28,34H,5,10,12H2,1-4H3,(H2,25,32)/t13-,15-,18-,19-/m1/s1
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n/an/a 1.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151078
PNG
(US8987268, 308)
Show SMILES CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(cc1)C#N)C(N)=O)C(=O)C1(CC1)C#N
Show InChI InChI=1S/C25H23N7O3/c1-35-21-13-31(24(34)25(14-27)6-7-25)12-19(21)30-22-18(23(28)33)10-29-32-11-17(8-20(22)32)16-4-2-15(9-26)3-5-16/h2-5,8,10-11,19,21,30H,6-7,12-13H2,1H3,(H2,28,33)/t19-,21+/m1/s1
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n/an/a 1.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151054
PNG
(US8987268, 126)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CCC#N)c1)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C22H28N8O3S/c1-3-15-13-29(34(2,32)33)8-5-19(15)27-21-18(22(24)31)11-26-30-14-16(9-20(21)30)17-10-25-28(12-17)7-4-6-23/h9-12,14-15,19,27H,3-5,7-8,13H2,1-2H3,(H2,24,31)/t15-,19-/m1/s1
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n/an/a 1.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151046
PNG
(US8987268, 69)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)CF)Nc1c(cnn2cc(cc12)-c1cnc(N)c(F)c1)C(N)=O
Show InChI InChI=1S/C23H25F2N7O2/c1-11-16-10-31(20(33)5-24)8-14(16)3-18(11)30-21-15(23(27)34)7-29-32-9-13(4-19(21)32)12-2-17(25)22(26)28-6-12/h2,4,6-7,9,11,14,16,18,30H,3,5,8,10H2,1H3,(H2,26,28)(H2,27,34)/t11-,14-,16-,18-/m1/s1
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n/an/a 1.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151062
PNG
(US8987268, 175)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C24H25N9O/c1-3-16-12-32(22-5-4-15(7-25)8-27-22)14-20(16)30-23-19(24(26)34)10-29-33-13-17(6-21(23)33)18-9-28-31(2)11-18/h4-6,8-11,13,16,20,30H,3,12,14H2,1-2H3,(H2,26,34)/t16-,20+/m0/s1
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n/an/a 1.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151068
PNG
(US8987268, 220)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cn(C)nc1C)C(N)=O)C(=O)C1(CC1)C#N
Show InChI InChI=1S/C24H28N8O2/c1-4-15-9-31(23(34)24(13-25)5-6-24)12-19(15)28-21-17(22(26)33)8-27-32-10-16(7-20(21)32)18-11-30(3)29-14(18)2/h7-8,10-11,15,19,28H,4-6,9,12H2,1-3H3,(H2,26,33)/t15-,19+/m0/s1
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n/an/a 1.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151076
PNG
(US8987268, 303)
Show SMILES CNC(=O)c1cccc(c1)-c1cc2c(N[C@@H]3CN(C[C@@H]3OC)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C26H27N7O4/c1-29-24(35)16-5-3-4-15(8-16)17-9-20-22(18(23(28)34)10-30-33(20)11-17)31-19-12-32(13-21(19)37-2)25(36)26(14-27)6-7-26/h3-5,8-11,19,21,31H,6-7,12-13H2,1-2H3,(H2,28,34)(H,29,35)/t19-,21+/m1/s1
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n/an/a 1.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151065
PNG
(US8987268, 194)
Show SMILES C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(F)nc1)C(N)=O)C(=O)CC#N
Show InChI InChI=1S/C21H20FN7O2/c1-12-9-28(19(30)4-5-23)11-16(12)27-20-15(21(24)31)8-26-29-10-14(6-17(20)29)13-2-3-18(22)25-7-13/h2-3,6-8,10,12,16,27H,4,9,11H2,1H3,(H2,24,31)/t12-,16+/m0/s1
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n/an/a 1.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151077
PNG
(US8987268, 305)
Show SMILES CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(F)cc1)C(N)=O)C(=O)C1(CC1)C#N
Show InChI InChI=1S/C24H23FN6O3/c1-34-20-12-30(23(33)24(13-26)6-7-24)11-18(20)29-21-17(22(27)32)9-28-31-10-15(8-19(21)31)14-2-4-16(25)5-3-14/h2-5,8-10,18,20,29H,6-7,11-12H2,1H3,(H2,27,32)/t18-,20+/m1/s1
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n/an/a 1.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151038
PNG
(BDBM151081 | US8987268, 52)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)C(=O)CC#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C22H23N7O3/c1-13-10-28(20(30)5-6-23)12-17(13)27-21-16(22(24)31)9-26-29-11-15(7-18(21)29)14-3-4-19(32-2)25-8-14/h3-4,7-9,11,13,17,27H,5,10,12H2,1-2H3,(H2,24,31)/t13-,17+/m0/s1
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n/an/a 1.60n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151038
PNG
(BDBM151081 | US8987268, 52)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)C(=O)CC#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C22H23N7O3/c1-13-10-28(20(30)5-6-23)12-17(13)27-21-16(22(24)31)9-26-29-11-15(7-18(21)29)14-3-4-19(32-2)25-8-14/h3-4,7-9,11,13,17,27H,5,10,12H2,1-2H3,(H2,24,31)/t13-,17+/m0/s1
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n/an/a 1.70n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151074
PNG
(US8987268, 281)
Show SMILES CCOc1ncc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C24H25FN8O3/c1-2-36-23-28-7-16(8-29-23)14-5-19-20(17(21(27)34)9-30-33(19)11-14)31-18-12-32(10-15(18)6-25)22(35)24(13-26)3-4-24/h5,7-9,11,15,18,31H,2-4,6,10,12H2,1H3,(H2,27,34)/t15-,18+/m0/s1
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n/an/a 1.80n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151041
PNG
(US8987268, 60)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)N1CCN(C(C)=O)C1=O)C(N)=O
Show InChI InChI=1S/C22H29N7O5S/c1-12-17-11-26(35(3,33)34)9-14(17)6-18(12)25-20-16(21(23)31)8-24-29-10-15(7-19(20)29)28-5-4-27(13(2)30)22(28)32/h7-8,10,12,14,17-18,25H,4-6,9,11H2,1-3H3,(H2,23,31)/t12-,14-,17-,18-/m1/s1
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n/an/a 1.80n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151062
PNG
(US8987268, 175)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C24H25N9O/c1-3-16-12-32(22-5-4-15(7-25)8-27-22)14-20(16)30-23-19(24(26)34)10-29-33-13-17(6-21(23)33)18-9-28-31(2)11-18/h4-6,8-11,13,16,20,30H,3,12,14H2,1-2H3,(H2,26,34)/t16-,20+/m0/s1
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n/an/a 1.90n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151058
PNG
(US8987268, 137)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(C)C)c1)C(N)=O)C(=O)[C@H](C)O
Show InChI InChI=1S/C25H35N7O3/c1-5-17-12-30(25(35)16(4)33)7-6-21(17)29-23-20(24(26)34)10-28-32-14-18(8-22(23)32)19-9-27-31(13-19)11-15(2)3/h8-10,13-17,21,29,33H,5-7,11-12H2,1-4H3,(H2,26,34)/t16-,17+,21+/m0/s1
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n/an/a 2n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151038
PNG
(BDBM151081 | US8987268, 52)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)C(=O)CC#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C22H23N7O3/c1-13-10-28(20(30)5-6-23)12-17(13)27-21-16(22(24)31)9-26-29-11-15(7-18(21)29)14-3-4-19(32-2)25-8-14/h3-4,7-9,11,13,17,27H,5,10,12H2,1-2H3,(H2,24,31)/t13-,17+/m0/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151053
PNG
(US8987268, 122)
Show SMILES CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CCC(CCCC([O-])=O)C1=O)C(N)=O)c1ncc(cn1)C#N
Show InChI InChI=1S/C28H33N9O4/c1-28(2)16-35(27-31-12-17(11-29)13-32-27)8-7-22(28)34-24-20(25(30)40)14-33-37-15-19(10-21(24)37)36-9-6-18(26(36)41)4-3-5-23(38)39/h10,12-15,18,22,34H,3-9,16H2,1-2H3,(H2,30,40)(H,38,39)/p-1/t18?,22-/m1/s1
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n/an/a 2.40n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151050
PNG
(US8987268, 97)
Show SMILES CCC(=O)N1C[C@H]2C[C@@H](Nc3c(cnn4cc(cc34)-c3ccc(F)nc3)C(N)=O)[C@H](C)[C@H]2C1
Show InChI InChI=1S/C24H27FN6O2/c1-3-22(32)30-10-16-6-19(13(2)18(16)12-30)29-23-17(24(26)33)9-28-31-11-15(7-20(23)31)14-4-5-21(25)27-8-14/h4-5,7-9,11,13,16,18-19,29H,3,6,10,12H2,1-2H3,(H2,26,33)/t13-,16-,18-,19-/m1/s1
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n/an/a 3.10n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151082
PNG
(US8987268, 56)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@H]3CCN(CC3(C)C)C(=O)[C@H](C)O)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C24H30N6O4/c1-14(31)23(33)29-8-7-19(24(2,3)13-29)28-21-17(22(25)32)11-27-30-12-16(9-18(21)30)15-5-6-20(34-4)26-10-15/h5-6,9-12,14,19,28,31H,7-8,13H2,1-4H3,(H2,25,32)/t14-,19-/m0/s1
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n/an/a 3.30n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151043
PNG
(US8987268, 62)
Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)C(=O)C(C)(C)O)Nc1c(cnn2cc(cc12)-c1cnc(N)nc1)C(N)=O
Show InChI InChI=1S/C24H30N8O3/c1-12-17-11-31(22(34)24(2,3)35)9-14(17)4-18(12)30-20-16(21(25)33)8-29-32-10-13(5-19(20)32)15-6-27-23(26)28-7-15/h5-8,10,12,14,17-18,30,35H,4,9,11H2,1-3H3,(H2,25,33)(H2,26,27,28)/t12-,14-,17-,18-/m1/s1
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n/an/a 3.60n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151056
PNG
(US8987268, 131)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(C)c1)C(N)=O)C(=O)C(C)(C)O
Show InChI InChI=1S/C25H32N6O3/c1-5-16-13-30(24(33)25(3,4)34)9-7-20(16)29-22-19(23(26)32)12-28-31-14-18(11-21(22)31)17-6-8-27-15(2)10-17/h6,8,10-12,14,16,20,29,34H,5,7,9,13H2,1-4H3,(H2,26,32)/t16-,20-/m1/s1
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n/an/a 3.60n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151071
PNG
(US8987268, 252)
Show SMILES CCNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CC)C(=O)C(C)(C)C#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C27H32N8O3/c1-5-16-12-34(26(38)27(3,4)15-28)14-21(16)33-23-19(24(29)36)11-32-35-13-18(9-22(23)35)17-7-8-20(31-10-17)25(37)30-6-2/h7-11,13,16,21,33H,5-6,12,14H2,1-4H3,(H2,29,36)(H,30,37)/t16-,21+/m0/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151039
PNG
(US8987268, 55)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CCN(CC3(C)C)C(=O)C(N)=O)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C23H27N7O4/c1-23(2)12-29(22(33)21(25)32)7-6-17(23)28-19-15(20(24)31)10-27-30-11-14(8-16(19)30)13-4-5-18(34-3)26-9-13/h4-5,8-11,17,28H,6-7,12H2,1-3H3,(H2,24,31)(H2,25,32)/t17-/m1/s1
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n/an/a 4.40n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151057
PNG
(US8987268, 134)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(OC)c1)C(N)=O)C(=O)[C@H](C)O
Show InChI InChI=1S/C24H30N6O4/c1-4-15-12-29(24(33)14(2)31)8-6-19(15)28-22-18(23(25)32)11-27-30-13-17(9-20(22)30)16-5-7-26-21(10-16)34-3/h5,7,9-11,13-15,19,28,31H,4,6,8,12H2,1-3H3,(H2,25,32)/t14-,15+,19+/m0/s1
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n/an/a 4.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151067
PNG
(US8987268, 213)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)C(=O)OC)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C22H25N7O4/c1-12-9-28(22(32)33-3)11-17(12)27-19-15(20(23)30)8-26-29-10-14(6-18(19)29)13-4-5-16(25-7-13)21(31)24-2/h4-8,10,12,17,27H,9,11H2,1-3H3,(H2,23,30)(H,24,31)/t12-,17+/m0/s1
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n/an/a 4.70n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151055
PNG
(US8987268, 127)
Show SMILES CC[C@H](O)C(=O)N1CC[C@@H](Nc2c(cnn3cc(cc23)-c2cnn(C)c2)C(N)=O)[C@H](CC)C1
Show InChI InChI=1S/C23H31N7O3/c1-4-14-12-29(23(33)20(31)5-2)7-6-18(14)27-21-17(22(24)32)10-26-30-13-15(8-19(21)30)16-9-25-28(3)11-16/h8-11,13-14,18,20,27,31H,4-7,12H2,1-3H3,(H2,24,32)/t14-,18-,20+/m1/s1
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n/an/a 5.60n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151086
PNG
(US8987268, 275)
Show SMILES CS(=O)(=O)N1C[C@H](CF)[C@@H](C1)Nc1c(cnn2cc(cc12)-c1ccc(nc1)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C20H20F4N6O3S/c1-34(32,33)29-8-13(5-21)15(10-29)28-18-14(19(25)31)7-27-30-9-12(4-16(18)30)11-2-3-17(26-6-11)20(22,23)24/h2-4,6-7,9,13,15,28H,5,8,10H2,1H3,(H2,25,31)/t13-,15+/m0/s1
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n/an/a 6.20n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151078
PNG
(US8987268, 308)
Show SMILES CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(cc1)C#N)C(N)=O)C(=O)C1(CC1)C#N
Show InChI InChI=1S/C25H23N7O3/c1-35-21-13-31(24(34)25(14-27)6-7-25)12-19(21)30-22-18(23(28)33)10-29-32-11-17(8-20(22)32)16-4-2-15(9-26)3-5-16/h2-5,8,10-11,19,21,30H,6-7,12-13H2,1H3,(H2,28,33)/t19-,21+/m1/s1
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n/an/a 6.60n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151059
PNG
(US8987268, 151)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)C(=O)CC(F)(F)F
Show InChI InChI=1S/C22H26F3N7O2/c1-3-13-11-31(19(33)7-22(23,24)25)5-4-17(13)29-20-16(21(26)34)9-28-32-12-14(6-18(20)32)15-8-27-30(2)10-15/h6,8-10,12-13,17,29H,3-5,7,11H2,1-2H3,(H2,26,34)/t13-,17-/m1/s1
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n/an/a 6.70n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151057
PNG
(US8987268, 134)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(OC)c1)C(N)=O)C(=O)[C@H](C)O
Show InChI InChI=1S/C24H30N6O4/c1-4-15-12-29(24(33)14(2)31)8-6-19(15)28-22-18(23(25)32)11-27-30-13-17(9-20(22)30)16-5-7-26-21(10-16)34-3/h5,7,9-11,13-15,19,28,31H,4,6,8,12H2,1-3H3,(H2,25,32)/t14-,15+,19+/m0/s1
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n/an/a 7n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151056
PNG
(US8987268, 131)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1ccnc(C)c1)C(N)=O)C(=O)C(C)(C)O
Show InChI InChI=1S/C25H32N6O3/c1-5-16-13-30(24(33)25(3,4)34)9-7-20(16)29-22-19(23(26)32)12-28-31-14-18(11-21(22)31)17-6-8-27-15(2)10-17/h6,8,10-12,14,16,20,29,34H,5,7,9,13H2,1-4H3,(H2,26,32)/t16-,20-/m1/s1
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n/an/a 7.10n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151067
PNG
(US8987268, 213)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3C)C(=O)OC)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C22H25N7O4/c1-12-9-28(22(32)33-3)11-17(12)27-19-15(20(23)30)8-26-29-10-14(6-18(19)29)13-4-5-16(25-7-13)21(31)24-2/h4-8,10,12,17,27H,9,11H2,1-3H3,(H2,23,30)(H,24,31)/t12-,17+/m0/s1
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n/an/a 7.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151059
PNG
(US8987268, 151)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)C(=O)CC(F)(F)F
Show InChI InChI=1S/C22H26F3N7O2/c1-3-13-11-31(19(33)7-22(23,24)25)5-4-17(13)29-20-16(21(26)34)9-28-32-12-14(6-18(20)32)15-8-27-30(2)10-15/h6,8-10,12-13,17,29H,3-5,7,11H2,1-2H3,(H2,26,34)/t13-,17-/m1/s1
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n/an/a 7.5n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151026
PNG
(US8987268, 28)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN4O2/c20-14-3-1-12(2-4-14)13-9-17-18(23-15-5-7-26-8-6-15)16(19(21)25)10-22-24(17)11-13/h1-4,9-11,15,23H,5-8H2,(H2,21,25)
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n/an/a 7.60n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151055
PNG
(US8987268, 127)
Show SMILES CC[C@H](O)C(=O)N1CC[C@@H](Nc2c(cnn3cc(cc23)-c2cnn(C)c2)C(N)=O)[C@H](CC)C1
Show InChI InChI=1S/C23H31N7O3/c1-4-14-12-29(23(33)20(31)5-2)7-6-18(14)27-21-17(22(24)32)10-26-30-13-15(8-19(21)30)16-9-25-28(3)11-16/h8-11,13-14,18,20,27,31H,4-7,12H2,1-3H3,(H2,24,32)/t14-,18-,20+/m1/s1
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n/an/a 7.60n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151060
PNG
(US8987268, 152)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)C(=O)[C@@H](C)O
Show InChI InChI=1S/C22H29N7O3/c1-4-14-11-28(22(32)13(2)30)6-5-18(14)26-20-17(21(23)31)9-25-29-12-15(7-19(20)29)16-8-24-27(3)10-16/h7-10,12-14,18,26,30H,4-6,11H2,1-3H3,(H2,23,31)/t13-,14-,18-/m1/s1
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n/an/a 7.80n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151079
PNG
(US8987268, 315)
Show SMILES CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(OC)nc1)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C20H24N6O5S/c1-30-17-11-25(32(3,28)29)10-15(17)24-19-14(20(21)27)8-23-26-9-13(6-16(19)26)12-4-5-18(31-2)22-7-12/h4-9,15,17,24H,10-11H2,1-3H3,(H2,21,27)/t15-,17+/m1/s1
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n/an/a 8n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151082
PNG
(US8987268, 56)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@H]3CCN(CC3(C)C)C(=O)[C@H](C)O)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C24H30N6O4/c1-14(31)23(33)29-8-7-19(24(2,3)13-29)28-21-17(22(25)32)11-27-30-12-16(9-18(21)30)15-5-6-20(34-4)26-10-15/h5-6,9-12,14,19,28,31H,7-8,13H2,1-4H3,(H2,25,32)/t14-,19-/m0/s1
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n/an/a 8n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151071
PNG
(US8987268, 252)
Show SMILES CCNC(=O)c1ccc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CC)C(=O)C(C)(C)C#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C27H32N8O3/c1-5-16-12-34(26(38)27(3,4)15-28)14-21(16)33-23-19(24(29)36)11-32-35-13-18(9-22(23)35)17-7-8-20(31-10-17)25(37)30-6-2/h7-11,13,16,21,33H,5-6,12,14H2,1-4H3,(H2,29,36)(H,30,37)/t16-,21+/m0/s1
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n/an/a 8.60n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151079
PNG
(US8987268, 315)
Show SMILES CO[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1ccc(OC)nc1)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C20H24N6O5S/c1-30-17-11-25(32(3,28)29)10-15(17)24-19-14(20(21)27)8-23-26-9-13(6-16(19)26)12-4-5-18(31-2)22-7-12/h4-9,15,17,24H,10-11H2,1-3H3,(H2,21,27)/t15-,17+/m1/s1
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n/an/a 8.90n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151073
PNG
(US8987268, 280)
Show SMILES COc1ncc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C23H23FN8O3/c1-35-22-27-6-15(7-28-22)13-4-18-19(16(20(26)33)8-29-32(18)10-13)30-17-11-31(9-14(17)5-24)21(34)23(12-25)2-3-23/h4,6-8,10,14,17,30H,2-3,5,9,11H2,1H3,(H2,26,33)/t14-,17+/m0/s1
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n/an/a 8.90n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151060
PNG
(US8987268, 152)
Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(C)c1)C(N)=O)C(=O)[C@@H](C)O
Show InChI InChI=1S/C22H29N7O3/c1-4-14-11-28(22(32)13(2)30)6-5-18(14)26-20-17(21(23)31)9-25-29-12-15(7-19(20)29)16-8-24-27(3)10-16/h7-10,12-14,18,26,30H,4-6,11H2,1-3H3,(H2,23,31)/t13-,14-,18-/m1/s1
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n/an/a 9n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151086
PNG
(US8987268, 275)
Show SMILES CS(=O)(=O)N1C[C@H](CF)[C@@H](C1)Nc1c(cnn2cc(cc12)-c1ccc(nc1)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C20H20F4N6O3S/c1-34(32,33)29-8-13(5-21)15(10-29)28-18-14(19(25)31)7-27-30-9-12(4-16(18)30)11-2-3-17(26-6-11)20(22,23)24/h2-4,6-7,9,13,15,28H,5,8,10H2,1H3,(H2,25,31)/t13-,15+/m0/s1
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n/an/a 9.70n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151052
PNG
(US8987268, 107)
Show SMILES CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CC(CC1=O)c1ccccc1)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C31H32N8O2/c1-31(2)19-37(27-9-8-20(14-32)15-34-27)11-10-26(31)36-29-24(30(33)41)16-35-39-18-23(13-25(29)39)38-17-22(12-28(38)40)21-6-4-3-5-7-21/h3-9,13,15-16,18,22,26,36H,10-12,17,19H2,1-2H3,(H2,33,41)/t22?,26-/m1/s1
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n/an/a 11.4n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151074
PNG
(US8987268, 281)
Show SMILES CCOc1ncc(cn1)-c1cc2c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C24H25FN8O3/c1-2-36-23-28-7-16(8-29-23)14-5-19-20(17(21(27)34)9-30-33(19)11-14)31-18-12-32(10-15(18)6-25)22(35)24(13-26)3-4-24/h5,7-9,11,15,18,31H,2-4,6,10,12H2,1H3,(H2,27,34)/t15-,18+/m0/s1
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n/an/a 11.8n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151034
PNG
(US8987268, 40)
Show SMILES CC1(F)COCC1Nc1c(cnn2cc(cc12)N1CCCC1=O)C(N)=O
Show InChI InChI=1S/C17H20FN5O3/c1-17(18)9-26-8-13(17)21-15-11(16(19)25)6-20-23-7-10(5-12(15)23)22-4-2-3-14(22)24/h5-7,13,21H,2-4,8-9H2,1H3,(H2,19,25)
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n/an/a 15.1n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151035
PNG
(US8987268, 46)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C20H23N5O3S/c1-29(27,28)24-9-5-8-16(13-24)23-19-17(20(21)26)11-22-25-12-15(10-18(19)25)14-6-3-2-4-7-14/h2-4,6-7,10-12,16,23H,5,8-9,13H2,1H3,(H2,21,26)/t16-/m0/s1
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n/an/a 20.9n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151052
PNG
(US8987268, 107)
Show SMILES CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CC(CC1=O)c1ccccc1)C(N)=O)c1ccc(cn1)C#N
Show InChI InChI=1S/C31H32N8O2/c1-31(2)19-37(27-9-8-20(14-32)15-34-27)11-10-26(31)36-29-24(30(33)41)16-35-39-18-23(13-25(29)39)38-17-22(12-28(38)40)21-6-4-3-5-7-21/h3-9,13,15-16,18,22,26,36H,10-12,17,19H2,1-2H3,(H2,33,41)/t22?,26-/m1/s1
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n/an/a 21n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151026
PNG
(US8987268, 28)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN4O2/c20-14-3-1-12(2-4-14)13-9-17-18(23-15-5-7-26-8-6-15)16(19(21)25)10-22-24(17)11-13/h1-4,9-11,15,23H,5-8H2,(H2,21,25)
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n/an/a 21.6n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151033
PNG
(US8987268, 35)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C22H21N5O2/c23-22(28)18-12-25-27-13-16(15-9-14-3-1-2-4-19(14)24-11-15)10-20(27)21(18)26-17-5-7-29-8-6-17/h1-4,9-13,17,26H,5-8H2,(H2,23,28)
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n/an/a 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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151031
PNG
(US8987268, 33)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccccc1C#N
Show InChI InChI=1S/C20H19N5O2/c21-10-13-3-1-2-4-16(13)14-9-18-19(24-15-5-7-27-8-6-15)17(20(22)26)11-23-25(18)12-14/h1-4,9,11-12,15,24H,5-8H2,(H2,22,26)
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n/an/a 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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151033
PNG
(US8987268, 35)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C22H21N5O2/c23-22(28)18-12-25-27-13-16(15-9-14-3-1-2-4-19(14)24-11-15)10-20(27)21(18)26-17-5-7-29-8-6-17/h1-4,9-13,17,26H,5-8H2,(H2,23,28)
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n/an/a 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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151032
PNG
(US8987268, 34)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccccc1F
Show InChI InChI=1S/C19H19FN4O2/c20-16-4-2-1-3-14(16)12-9-17-18(23-13-5-7-26-8-6-13)15(19(21)25)10-22-24(17)11-12/h1-4,9-11,13,23H,5-8H2,(H2,21,25)
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n/an/a 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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151034
PNG
(US8987268, 40)
Show SMILES CC1(F)COCC1Nc1c(cnn2cc(cc12)N1CCCC1=O)C(N)=O
Show InChI InChI=1S/C17H20FN5O3/c1-17(18)9-26-8-13(17)21-15-11(16(19)25)6-20-23-7-10(5-12(15)23)22-4-2-3-14(22)24/h5-7,13,21H,2-4,8-9H2,1H3,(H2,19,25)
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n/an/a 40.3n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151036
PNG
(US8987268, 48)
Show SMILES NC(=O)c1cnn2cc(cc2c1N[C@@H]1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C19H21N5O/c20-19(25)16-11-22-24-12-14(13-5-2-1-3-6-13)9-17(24)18(16)23-15-7-4-8-21-10-15/h1-3,5-6,9,11-12,15,21,23H,4,7-8,10H2,(H2,20,25)/t15-/m1/s1
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n/an/a 53.4n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151036
PNG
(US8987268, 48)
Show SMILES NC(=O)c1cnn2cc(cc2c1N[C@@H]1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C19H21N5O/c20-19(25)16-11-22-24-12-14(13-5-2-1-3-6-13)9-17(24)18(16)23-15-7-4-8-21-10-15/h1-3,5-6,9,11-12,15,21,23H,4,7-8,10H2,(H2,20,25)/t15-/m1/s1
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n/an/a 57.1n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151035
PNG
(US8987268, 46)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C20H23N5O3S/c1-29(27,28)24-9-5-8-16(13-24)23-19-17(20(21)26)11-22-25-12-15(10-18(19)25)14-6-3-2-4-7-14/h2-4,6-7,10-12,16,23H,5,8-9,13H2,1H3,(H2,21,26)/t16-/m0/s1
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n/an/a 58n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151027
PNG
(US8987268, 29)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cncc(F)c1
Show InChI InChI=1S/C18H18FN5O2/c19-13-5-11(7-21-8-13)12-6-16-17(23-14-1-3-26-4-2-14)15(18(20)25)9-22-24(16)10-12/h5-10,14,23H,1-4H2,(H2,20,25)
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n/an/a 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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151029
PNG
(US8987268, 31)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cccnc1
Show InChI InChI=1S/C18H19N5O2/c19-18(24)15-10-21-23-11-13(12-2-1-5-20-9-12)8-16(23)17(15)22-14-3-6-25-7-4-14/h1-2,5,8-11,14,22H,3-4,6-7H2,(H2,19,24)
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n/an/a 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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151032
PNG
(US8987268, 34)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccccc1F
Show InChI InChI=1S/C19H19FN4O2/c20-16-4-2-1-3-14(16)12-9-17-18(23-13-5-7-26-8-6-13)15(19(21)25)10-22-24(17)11-12/h1-4,9-11,13,23H,5-8H2,(H2,21,25)
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n/an/a 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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151031
PNG
(US8987268, 33)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1ccccc1C#N
Show InChI InChI=1S/C20H19N5O2/c21-10-13-3-1-2-4-16(13)14-9-18-19(24-15-5-7-27-8-6-15)17(20(22)26)11-23-25(18)12-14/h1-4,9,11-12,15,24H,5-8H2,(H2,22,26)
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n/an/a 110n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151028
PNG
(US8987268, 30)
Show SMILES Cn1nccc1-c1cc2c(NC3CCOCC3)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C17H20N6O2/c1-22-14(2-5-19-22)11-8-15-16(21-12-3-6-25-7-4-12)13(17(18)24)9-20-23(15)10-11/h2,5,8-10,12,21H,3-4,6-7H2,1H3,(H2,18,24)
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n/an/a 110n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151080
PNG
(US8987268, 54)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@H]3CN(C[C@H]3C)C(=O)CC#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C22H23N7O3/c1-13-10-28(20(30)5-6-23)12-17(13)27-21-16(22(24)31)9-26-29-11-15(7-18(21)29)14-3-4-19(32-2)25-8-14/h3-4,7-9,11,13,17,27H,5,10,12H2,1-2H3,(H2,24,31)/t13-,17+/m1/s1
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n/an/a 110n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151029
PNG
(US8987268, 31)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cccnc1
Show InChI InChI=1S/C18H19N5O2/c19-18(24)15-10-21-23-11-13(12-2-1-5-20-9-12)8-16(23)17(15)22-14-3-6-25-7-4-14/h1-2,5,8-11,14,22H,3-4,6-7H2,(H2,19,24)
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n/an/a 120n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151027
PNG
(US8987268, 29)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cncc(F)c1
Show InChI InChI=1S/C18H18FN5O2/c19-13-5-11(7-21-8-13)12-6-16-17(23-14-1-3-26-4-2-14)15(18(20)25)9-22-24(16)10-12/h5-10,14,23H,1-4H2,(H2,20,25)
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n/an/a 120n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151080
PNG
(US8987268, 54)
Show SMILES COc1ccc(cn1)-c1cc2c(N[C@H]3CN(C[C@H]3C)C(=O)CC#N)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C22H23N7O3/c1-13-10-28(20(30)5-6-23)12-17(13)27-21-16(22(24)31)9-26-29-11-15(7-18(21)29)14-3-4-19(32-2)25-8-14/h3-4,7-9,11,13,17,27H,5,10,12H2,1-2H3,(H2,24,31)/t13-,17+/m1/s1
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n/an/a 133n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151030
PNG
(US8987268, 32)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cncnc1
Show InChI InChI=1S/C17H18N6O2/c18-17(24)14-8-21-23-9-11(12-6-19-10-20-7-12)5-15(23)16(14)22-13-1-3-25-4-2-13/h5-10,13,22H,1-4H2,(H2,18,24)
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n/an/a 148n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151028
PNG
(US8987268, 30)
Show SMILES Cn1nccc1-c1cc2c(NC3CCOCC3)c(cnn2c1)C(N)=O
Show InChI InChI=1S/C17H20N6O2/c1-22-14(2-5-19-22)11-8-15-16(21-12-3-6-25-7-4-12)13(17(18)24)9-20-23(15)10-11/h2,5,8-10,12,21H,3-4,6-7H2,1H3,(H2,18,24)
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n/an/a 190n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM151037
PNG
(US8987268, 51)
Show SMILES CCOC(=O)N1CCC[C@H](C1)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C22H25N5O3/c1-2-30-22(29)26-10-6-9-17(14-26)25-20-18(21(23)28)12-24-27-13-16(11-19(20)27)15-7-4-3-5-8-15/h3-5,7-8,11-13,17,25H,2,6,9-10,14H2,1H3,(H2,23,28)/t17-/m1/s1
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n/an/a 285n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151030
PNG
(US8987268, 32)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC1CCOCC1)-c1cncnc1
Show InChI InChI=1S/C17H18N6O2/c18-17(24)14-8-21-23-9-11(12-6-19-10-20-7-12)5-15(23)16(14)22-13-1-3-25-4-2-13/h5-10,13,22H,1-4H2,(H2,18,24)
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n/an/a 813n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM151037
PNG
(US8987268, 51)
Show SMILES CCOC(=O)N1CCC[C@H](C1)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C22H25N5O3/c1-2-30-22(29)26-10-6-9-17(14-26)25-20-18(21(23)28)12-24-27-13-16(11-19(20)27)15-7-4-3-5-8-15/h3-5,7-8,11-13,17,25H,2,6,9-10,14H2,1H3,(H2,23,28)/t17-/m1/s1
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n/an/a 903n/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 substrat...

US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%