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Patent code US8815840

Compile Data Set for Download or QSAR
Found 94 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 JAK2


(Homo sapiens (Human))		BDBM130290
PNG
(US8815840, 196)
Show SMILES COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1C[C@@H]2C[C@H]1CO2 |r|
Show InChI InChI=1S/C26H22FN3O4/c1-33-23-5-3-13(9-21(23)27)15-7-19-18-6-14(26(32)30-11-17-10-16(30)12-34-17)2-4-22(18)29-24(19)20(8-15)25(28)31/h2-9,16-17,29H,10-12H2,1H3,(H2,28,31)/t16-,17-/m0/s1
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130256
PNG
(US8815840, 15)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H20ClN3O3/c25-17-3-1-2-14(10-17)16-12-19-18-11-15(24(30)28-6-8-31-9-7-28)4-5-21(18)27-22(19)20(13-16)23(26)29/h1-5,10-13,27H,6-9H2,(H2,26,29)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130325
PNG
(US8815840, 451)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1ccc2sccc2c1
Show InChI InChI=1S/C25H20N4O3S/c26-24(30)18-13-19(14-2-4-21-15(11-14)5-10-33-21)27-22-17-3-1-16(12-20(17)28-23(18)22)25(31)29-6-8-32-9-7-29/h1-5,10-13,28H,6-9H2,(H2,26,30)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130311
PNG
(US8815840, 353)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)N1CCOCC1)-c1ccc(OCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C28H30ClN5O4/c29-22-15-18(1-4-25(22)38-14-7-33-5-10-36-11-6-33)23-17-21(28(30)35)27-26(31-23)20-3-2-19(16-24(20)32-27)34-8-12-37-13-9-34/h1-4,15-17,32H,5-14H2,(H2,30,35)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130323
PNG
(US8815840, 430)
Show SMILES NC(=O)c1cc(cc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1ncccn1
Show InChI InChI=1S/C22H19N5O3/c23-20(28)17-11-14(21-24-4-1-5-25-21)10-16-15-3-2-13(12-18(15)26-19(16)17)22(29)27-6-8-30-9-7-27/h1-5,10-12,26H,6-9H2,(H2,23,28)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130303
PNG
(US8815840, 310)
Show SMILES COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H24FN5O2/c1-29-7-9-30(10-8-29)15-4-5-16-20(12-15)28-23-17(24(26)31)13-19(27-22(16)23)14-3-6-21(32-2)18(25)11-14/h3-6,11-13,28H,7-10H2,1-2H3,(H2,26,31)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130302
PNG
(US8815840, 309)
Show SMILES CN1CCN(CC1)c1ccc2c(c1)[nH]c1c(cc(nc21)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C23H22ClN5O/c1-28-7-9-29(10-8-28)16-5-6-17-20(12-16)27-22-18(23(25)30)13-19(26-21(17)22)14-3-2-4-15(24)11-14/h2-6,11-13,27H,7-10H2,1H3,(H2,25,30)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130300
PNG
(US8815840, 257)
Show SMILES NC(=O)c1cc(nc2c3cc(CN4CCOCC4)ccc3[nH]c12)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H21ClN4O2/c24-16-3-1-2-15(11-16)20-12-18(23(25)29)22-21(27-20)17-10-14(4-5-19(17)26-22)13-28-6-8-30-9-7-28/h1-5,10-12,26H,6-9,13H2,(H2,25,29)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130295
PNG
(US8815840, 211)
Show SMILES COc1ccc(cc1F)-c1nc(C(N)=O)c2[nH]c3cc(ccc3c2n1)C(=O)N1CCC(C1)N(C)C
Show InChI InChI=1S/C25H25FN6O3/c1-31(2)15-8-9-32(12-15)25(34)14-4-6-16-18(11-14)28-21-20(16)29-24(30-22(21)23(27)33)13-5-7-19(35-3)17(26)10-13/h4-7,10-11,15,28H,8-9,12H2,1-3H3,(H2,27,33)
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n/an/a<1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130257
PNG
(US8815840, 17)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(cc(cc3c2c1)-c1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C25H23ClN4O2/c1-29-8-10-30(11-9-29)25(32)16-4-7-22-19(12-16)20-13-17(15-2-5-18(26)6-3-15)14-21(24(27)31)23(20)28-22/h2-7,12-14,28H,8-11H2,1H3,(H2,27,31)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130327
PNG
(US8815840, 456)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1ccc2scnc2c1
Show InChI InChI=1S/C24H19N5O3S/c25-23(30)16-11-17(13-2-4-20-19(9-13)26-12-33-20)27-21-15-3-1-14(10-18(15)28-22(16)21)24(31)29-5-7-32-8-6-29/h1-4,9-12,28H,5-8H2,(H2,25,30)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130322
PNG
(US8815840, 424)
Show SMILES Cc1ccc(c(F)c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(O)=O
Show InChI InChI=1S/C21H15FN2O3/c1-10-2-4-13(17(22)6-10)12-8-15-14-7-11(21(26)27)3-5-18(14)24-19(15)16(9-12)20(23)25/h2-9,24H,1H3,(H2,23,25)(H,26,27)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130342
PNG
(US8815840, 504)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)N1CCOCC1)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C25H26N6O3/c26-25(32)19-14-20(16-1-4-22(27-15-16)31-7-11-34-12-8-31)28-23-18-3-2-17(13-21(18)29-24(19)23)30-5-9-33-10-6-30/h1-4,13-15,29H,5-12H2,(H2,26,32)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130310
PNG
(US8815840, 345)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)N1CCOCC1)-c1ccc(CN2CCOCC2)s1
Show InChI InChI=1S/C25H27N5O3S/c26-25(31)19-14-21(22-4-2-17(34-22)15-29-5-9-32-10-6-29)28-23-18-3-1-16(13-20(18)27-24(19)23)30-7-11-33-12-8-30/h1-4,13-14,27H,5-12,15H2,(H2,26,31)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130270
PNG
(US8815840, 106)
Show SMILES COCCCN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1cccc(OC)c1)C(N)=O
Show InChI InChI=1S/C29H32N4O4/c1-36-14-4-9-32-10-12-33(13-11-32)29(35)20-7-8-23-24-16-21(19-5-3-6-22(15-19)37-2)17-25(28(30)34)27(24)31-26(23)18-20/h3,5-8,15-18,31H,4,9-14H2,1-2H3,(H2,30,34)
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n/an/a<1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130268
PNG
(US8815840, 96)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N(C)CCS(C)(=O)=O
Show InChI InChI=1S/C25H25N3O5S/c1-28(9-10-34(3,31)32)25(30)16-7-8-19-20-12-17(15-5-4-6-18(11-15)33-2)13-21(24(26)29)23(20)27-22(19)14-16/h4-8,11-14,27H,9-10H2,1-3H3,(H2,26,29)
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n/an/a<1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130338
PNG
(US8815840, 499)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)N1CCOCC1)-c1ccc(nc1)C1CC1
Show InChI InChI=1S/C24H23N5O2/c25-24(30)18-12-20(15-3-6-19(26-13-15)14-1-2-14)27-22-17-5-4-16(11-21(17)28-23(18)22)29-7-9-31-10-8-29/h3-6,11-14,28H,1-2,7-10H2,(H2,25,30)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130344
PNG
(US8815840, 532)
Show SMILES COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCCC(C)(O)C1
Show InChI InChI=1S/C27H26FN3O4/c1-27(34)8-3-9-31(14-27)26(33)16-4-6-18-19-10-17(15-5-7-23(35-2)21(28)12-15)11-20(25(29)32)24(19)30-22(18)13-16/h4-7,10-13,30,34H,3,8-9,14H2,1-2H3,(H2,29,32)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130341
PNG
(US8815840, 503)
Show SMILES CN(C)c1ccc(cn1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)N1CCOCC1
Show InChI InChI=1S/C23H24N6O2/c1-28(2)20-6-3-14(13-25-20)18-12-17(23(24)30)22-21(26-18)16-5-4-15(11-19(16)27-22)29-7-9-31-10-8-29/h3-6,11-13,27H,7-10H2,1-2H3,(H2,24,30)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130291
PNG
(US8815840, 197)
Show SMILES COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C26H24FN3O4/c1-34-23-5-3-14(13-21(23)27)16-11-19-18-10-15(26(33)30-8-6-17(31)7-9-30)2-4-22(18)29-24(19)20(12-16)25(28)32/h2-5,10-13,17,29,31H,6-9H2,1H3,(H2,28,32)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130343
PNG
(US8815840, 529)
Show SMILES COC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccc(OC)c(F)c1)C(N)=O
Show InChI InChI=1S/C27H25FN4O5/c1-36-23-6-4-15(13-21(23)28)17-11-19-18-5-3-16(14-22(18)30-24(19)20(12-17)25(29)33)26(34)31-7-9-32(10-8-31)27(35)37-2/h3-6,11-14,30H,7-10H2,1-2H3,(H2,29,33)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130324
PNG
(US8815840, 448)
Show SMILES Cn1ccc2cc(ccc12)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H23N5O3/c1-30-7-6-16-12-15(3-5-22(16)30)20-14-19(25(27)32)24-23(28-20)18-4-2-17(13-21(18)29-24)26(33)31-8-10-34-11-9-31/h2-7,12-14,29H,8-11H2,1H3,(H2,27,32)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130309
PNG
(US8815840, 344)
Show SMILES COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)N1CCOCC1
Show InChI InChI=1S/C23H21FN4O3/c1-30-20-5-2-13(10-17(20)24)18-12-16(23(25)29)22-21(26-18)15-4-3-14(11-19(15)27-22)28-6-8-31-9-7-28/h2-5,10-12,27H,6-9H2,1H3,(H2,25,29)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130307
PNG
(US8815840, 323)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)N1CCS(=O)(=O)CC1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C27H29N5O4S/c28-27(33)22-16-23(19-3-1-18(2-4-19)17-31-7-11-36-12-8-31)29-25-21-6-5-20(15-24(21)30-26(22)25)32-9-13-37(34,35)14-10-32/h1-6,15-16,30H,7-14,17H2,(H2,28,33)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130289
PNG
(US8815840, 194)
Show SMILES COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C29H27FN4O4/c1-38-25-7-5-17(15-23(25)30)19-13-21-20-12-18(4-6-24(20)32-26(21)22(14-19)27(31)35)29(37)34-10-8-33(9-11-34)28(36)16-2-3-16/h4-7,12-16,32H,2-3,8-11H2,1H3,(H2,31,35)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130308
PNG
(US8815840, 324)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)N1CCOCC1=O)-c1ccc(CN2CCOCC2)s1
Show InChI InChI=1S/C25H25N5O4S/c26-25(32)18-12-20(21-4-2-16(35-21)13-29-5-8-33-9-6-29)28-23-17-3-1-15(11-19(17)27-24(18)23)30-7-10-34-14-22(30)31/h1-4,11-12,27H,5-10,13-14H2,(H2,26,32)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130287
PNG
(US8815840, 185)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOC(CO)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H22ClN3O4/c26-17-3-1-2-14(8-17)16-10-20-19-9-15(25(32)29-6-7-33-18(12-29)13-30)4-5-22(19)28-23(20)21(11-16)24(27)31/h1-5,8-11,18,28,30H,6-7,12-13H2,(H2,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130299
PNG
(US8815840, 256)
Show SMILES CC(C)(C)N1CCN(Cc2ccc3c(c2)[nH]c2c(cc(nc32)-c2cccc(Cl)c2)C(N)=O)CC1
Show InChI InChI=1S/C27H30ClN5O/c1-27(2,3)33-11-9-32(10-12-33)16-17-7-8-20-23(13-17)31-25-21(26(29)34)15-22(30-24(20)25)18-5-4-6-19(28)14-18/h4-8,13-15,31H,9-12,16H2,1-3H3,(H2,29,34)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130305
PNG
(US8815840, 319)
Show SMILES CN1CCC(CC1)Nc1ccc2c(c1)[nH]c1c(cc(nc21)-c1cccc(c1)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C25H24F3N5O/c1-33-9-7-16(8-10-33)30-17-5-6-18-21(12-17)32-23-19(24(29)34)13-20(31-22(18)23)14-3-2-4-15(11-14)25(26,27)28/h2-6,11-13,16,30,32H,7-10H2,1H3,(H2,29,34)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130306
PNG
(US8815840, 322)
Show SMILES NC(=O)c1cc(nc2c3ccc(N)cc3[nH]c12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C23H23N5O2/c24-16-5-6-17-20(11-16)27-22-18(23(25)29)12-19(26-21(17)22)15-3-1-14(2-4-15)13-28-7-9-30-10-8-28/h1-6,11-12,27H,7-10,13,24H2,(H2,25,29)
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n/an/a 1n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130288
PNG
(US8815840, 190)
Show SMILES COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCC[C@H](O)C1 |r|
Show InChI InChI=1S/C26H24FN3O4/c1-34-23-7-5-14(12-21(23)27)16-10-19-18-9-15(26(33)30-8-2-3-17(31)13-30)4-6-22(18)29-24(19)20(11-16)25(28)32/h4-7,9-12,17,29,31H,2-3,8,13H2,1H3,(H2,28,32)/t17-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130285
PNG
(US8815840, 180)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOC(CO)C1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H21Cl2N3O4/c26-20-3-1-13(10-21(20)27)15-8-18-17-7-14(25(33)30-5-6-34-16(11-30)12-31)2-4-22(17)29-23(18)19(9-15)24(28)32/h1-4,7-10,16,29,31H,5-6,11-12H2,(H2,28,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130297
PNG
(US8815840, 227)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClN4O3/c24-15-4-1-13(2-5-15)18-12-17(22(25)29)21-20(26-18)16-6-3-14(11-19(16)27-21)23(30)28-7-9-31-10-8-28/h1-6,11-12,27H,7-10H2,(H2,25,29)
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n/an/a 2n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130316
PNG
(US8815840, 374)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)N1CCOCC1)-c1cc(CN2CCOCC2)co1
Show InChI InChI=1S/C25H27N5O4/c26-25(31)19-13-21(22-11-16(15-34-22)14-29-3-7-32-8-4-29)28-23-18-2-1-17(12-20(18)27-24(19)23)30-5-9-33-10-6-30/h1-2,11-13,15,27H,3-10,14H2,(H2,26,31)
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n/an/a 6n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130282
PNG
(US8815840, 151)
Show SMILES NC(=O)c1cc(cc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H20F3N3O4/c26-25(27,28)35-17-4-1-14(2-5-17)16-11-19-18-6-3-15(24(33)31-7-9-34-10-8-31)13-21(18)30-22(19)20(12-16)23(29)32/h1-6,11-13,30H,7-10H2,(H2,29,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130272
PNG
(US8815840, 124)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)C1O[C@H]2CN[C@H]1C2 |r|
Show InChI InChI=1S/C26H23N3O4/c1-32-16-4-2-3-13(7-16)15-8-19-18-6-5-14(24(30)25-22-11-17(33-25)12-28-22)10-21(18)29-23(19)20(9-15)26(27)31/h2-10,17,22,25,28-29H,11-12H2,1H3,(H2,27,31)/t17-,22+,25?/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130337
PNG
(US8815840, 488)
Show SMILES Cc1ccc(cn1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)N1CCOCC1
Show InChI InChI=1S/C23H22N4O2/c1-14-2-3-15(13-25-14)16-10-19-18-5-4-17(27-6-8-29-9-7-27)12-21(18)26-22(19)20(11-16)23(24)28/h2-5,10-13,26H,6-9H2,1H3,(H2,24,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130339
PNG
(US8815840, 500)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)N1CCOCC1)-c1ccc(CO)nc1
Show InChI InChI=1S/C22H21N5O3/c23-22(29)17-10-18(13-1-2-14(12-28)24-11-13)25-20-16-4-3-15(9-19(16)26-21(17)20)27-5-7-30-8-6-27/h1-4,9-11,26,28H,5-8,12H2,(H2,23,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130315
PNG
(US8815840, 373)
Show SMILES COCCN1CCN(Cc2ccc(s2)-c2cc(C(N)=O)c3[nH]c4cc(ccc4c3n2)N2CCOCC2)CC1
Show InChI InChI=1S/C28H34N6O3S/c1-36-13-10-32-6-8-33(9-7-32)18-20-3-5-25(38-20)24-17-22(28(29)35)27-26(31-24)21-4-2-19(16-23(21)30-27)34-11-14-37-15-12-34/h2-5,16-17,30H,6-15,18H2,1H3,(H2,29,35)
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n/an/a 6n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130284
PNG
(US8815840, 166)
Show SMILES COc1ccc(cc1OC)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H25N3O5/c1-32-22-6-4-15(14-23(22)33-2)17-12-19-18-11-16(26(31)29-7-9-34-10-8-29)3-5-21(18)28-24(19)20(13-17)25(27)30/h3-6,11-14,28H,7-10H2,1-2H3,(H2,27,30)
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n/an/a 6n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130258
PNG
(US8815840, 33)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)NCCn1ccnc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H19Cl2N5O2/c26-20-3-1-14(12-21(20)27)16-10-18-17-9-15(25(34)30-6-8-32-7-5-29-13-32)2-4-22(17)31-23(18)19(11-16)24(28)33/h1-5,7,9-13,31H,6,8H2,(H2,28,33)(H,30,34)
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n/an/a 6n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130267
PNG
(US8815840, 88)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C31H29N5O3/c1-39-24-6-2-5-21(14-24)23-15-26-25-8-7-22(17-28(25)34-29(26)27(16-23)30(32)37)31(38)36-12-10-35(11-13-36)19-20-4-3-9-33-18-20/h2-9,14-18,34H,10-13,19H2,1H3,(H2,32,37)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130331
PNG
(US8815840, 468)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H30N6O3/c1-32-8-10-33(11-9-32)20-5-2-18(3-6-20)23-17-22(27(29)35)26-25(30-23)21-7-4-19(16-24(21)31-26)28(36)34-12-14-37-15-13-34/h2-7,16-17,31H,8-15H2,1H3,(H2,29,35)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130266
PNG
(US8815840, 80)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C25H24N4O2/c1-28-9-11-29(12-10-28)25(31)17-7-8-19-20-13-18(16-5-3-2-4-6-16)14-21(24(26)30)23(20)27-22(19)15-17/h2-8,13-15,27H,9-12H2,1H3,(H2,26,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130265
PNG
(US8815840, 79)
Show SMILES COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C26H25FN4O3/c1-30-7-9-31(10-8-30)26(33)16-3-5-18-19-11-17(15-4-6-23(34-2)21(27)13-15)12-20(25(28)32)24(19)29-22(18)14-16/h3-6,11-14,29H,7-10H2,1-2H3,(H2,28,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130259
PNG
(US8815840, 49)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N[C@@H]1CCNC1)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C24H20Cl2N4O2/c25-19-3-1-12(10-20(19)26)14-8-17-16-7-13(24(32)29-15-5-6-28-11-15)2-4-21(16)30-22(17)18(9-14)23(27)31/h1-4,7-10,15,28,30H,5-6,11H2,(H2,27,31)(H,29,32)/t15-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130261
PNG
(US8815840, 56)
Show SMILES CN(C)CCNC(=O)c1ccc2[nH]c3c(cc(cc3c2c1)-c1ccc(Cl)c(Cl)c1)C(N)=O
Show InChI InChI=1S/C24H22Cl2N4O2/c1-30(2)8-7-28-24(32)14-4-6-21-16(9-14)17-10-15(11-18(23(27)31)22(17)29-21)13-3-5-19(25)20(26)12-13/h3-6,9-12,29H,7-8H2,1-2H3,(H2,27,31)(H,28,32)
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n/an/a 6n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130349
PNG
(US8815840, 584)
Show SMILES NC(=O)c1cc(cc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1ccc2scnc2c1
Show InChI InChI=1S/C25H20N4O3S/c26-24(30)19-10-16(14-2-4-22-21(11-14)27-13-33-22)9-18-17-3-1-15(12-20(17)28-23(18)19)25(31)29-5-7-32-8-6-29/h1-4,9-13,28H,5-8H2,(H2,26,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130262
PNG
(US8815840, 61)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccc(Cl)c(Cl)c1)C(N)=O
Show InChI InChI=1S/C25H22Cl2N4O2/c1-30-6-8-31(9-7-30)25(33)15-2-4-17-18-10-16(14-3-5-20(26)21(27)12-14)11-19(24(28)32)23(18)29-22(17)13-15/h2-5,10-13,29H,6-9H2,1H3,(H2,28,32)
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n/an/a 6n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130312
PNG
(US8815840, 357)
Show SMILES COCCOc1ccc(cc1Cl)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)N1CCOCC1
Show InChI InChI=1S/C25H25ClN4O4/c1-32-10-11-34-22-5-2-15(12-19(22)26)20-14-18(25(27)31)24-23(28-20)17-4-3-16(13-21(17)29-24)30-6-8-33-9-7-30/h2-5,12-14,29H,6-11H2,1H3,(H2,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130304
PNG
(US8815840, 316)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)N1CCNCC1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N5O/c24-23(25,26)14-3-1-2-13(10-14)18-12-17(22(27)32)21-20(29-18)16-5-4-15(11-19(16)30-21)31-8-6-28-7-9-31/h1-5,10-12,28,30H,6-9H2,(H2,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130314
PNG
(US8815840, 361)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)N1CCOCC1)-c1ccc(OCCN2CCCOCC2)c(Cl)c1
Show InChI InChI=1S/C29H32ClN5O4/c30-23-16-19(2-5-26(23)39-15-8-34-6-1-11-37-12-7-34)24-18-22(29(31)36)28-27(32-24)21-4-3-20(17-25(21)33-28)35-9-13-38-14-10-35/h2-5,16-18,33H,1,6-15H2,(H2,31,36)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130301
PNG
(US8815840, 281)
Show SMILES Cc1ccc(cn1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C22H19F2N5O/c1-12-2-3-13(10-26-12)17-9-16(21(25)30)20-19(27-17)15-5-4-14(8-18(15)28-20)29-7-6-22(23,24)11-29/h2-5,8-10,28H,6-7,11H2,1H3,(H2,25,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130260
PNG
(US8815840, 51)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)NCCN1CCOCC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H24Cl2N4O3/c27-21-3-1-15(14-22(21)28)17-12-19-18-11-16(26(34)30-5-6-32-7-9-35-10-8-32)2-4-23(18)31-24(19)20(13-17)25(29)33/h1-4,11-14,31H,5-10H2,(H2,29,33)(H,30,34)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130269
PNG
(US8815840, 101)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H26N4O3/c1-29(2)10-9-27-25(31)16-7-8-19-20-12-17(15-5-4-6-18(11-15)32-3)13-21(24(26)30)23(20)28-22(19)14-16/h4-8,11-14,28H,9-10H2,1-3H3,(H2,26,30)(H,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130264
PNG
(US8815840, 76)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccc(Cl)nc1)C(N)=O
Show InChI InChI=1S/C24H22ClN5O2/c1-29-6-8-30(9-7-29)24(32)14-2-4-17-18-10-16(15-3-5-21(25)27-13-15)11-19(23(26)31)22(18)28-20(17)12-14/h2-5,10-13,28H,6-9H2,1H3,(H2,26,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130296
PNG
(US8815840, 216)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H18F2N4O3/c24-16-4-2-12(9-17(16)25)18-11-15(22(26)30)21-20(27-18)14-3-1-13(10-19(14)28-21)23(31)29-5-7-32-8-6-29/h1-4,9-11,28H,5-8H2,(H2,26,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130326
PNG
(US8815840, 454)
Show SMILES Cn1ncc2ccc(cc12)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H22N6O3/c1-30-21-11-14(2-3-16(21)13-27-30)19-12-18(24(26)32)23-22(28-19)17-5-4-15(10-20(17)29-23)25(33)31-6-8-34-9-7-31/h2-5,10-13,29H,6-9H2,1H3,(H2,26,32)
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n/an/a 7n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130271
PNG
(US8815840, 120)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C29H28N4O4/c1-37-21-4-2-3-18(13-21)20-14-23-22-8-7-19(16-25(22)31-26(23)24(15-20)27(30)34)29(36)33-11-9-32(10-12-33)28(35)17-5-6-17/h2-4,7-8,13-17,31H,5-6,9-12H2,1H3,(H2,30,34)
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n/an/a 7n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130313
PNG
(US8815840, 360)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)N1CCOCC1)-c1ccc(OC2CCNCC2)c(Cl)c1
Show InChI InChI=1S/C27H28ClN5O3/c28-21-13-16(1-4-24(21)36-18-5-7-30-8-6-18)22-15-20(27(29)34)26-25(31-22)19-3-2-17(14-23(19)32-26)33-9-11-35-12-10-33/h1-4,13-15,18,30,32H,5-12H2,(H2,29,34)
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n/an/a 7n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130275
PNG
(US8815840, 132)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(NC(=O)OCCN)ccc3c2c1
Show InChI InChI=1S/C23H22N4O4/c1-30-16-4-2-3-13(9-16)14-10-18-17-6-5-15(26-23(29)31-8-7-24)12-20(17)27-21(18)19(11-14)22(25)28/h2-6,9-12,27H,7-8,24H2,1H3,(H2,25,28)(H,26,29)
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n/an/a 7n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130298
PNG
(US8815840, 245)
Show SMILES NC(=O)c1cc(nc2c3ccc(OCCN4CCOCC4)cc3[nH]c12)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H22Cl2N4O3/c25-18-4-1-14(11-19(18)26)20-13-17(24(27)31)23-22(28-20)16-3-2-15(12-21(16)29-23)33-10-7-30-5-8-32-9-6-30/h1-4,11-13,29H,5-10H2,(H2,27,31)
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n/an/a 7n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130281
PNG
(US8815840, 145)
Show SMILES COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H22FN3O4/c1-32-22-5-3-14(12-20(22)26)16-10-18-17-4-2-15(25(31)29-6-8-33-9-7-29)13-21(17)28-23(18)19(11-16)24(27)30/h2-5,10-13,28H,6-9H2,1H3,(H2,27,30)
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n/an/a 7n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130283
PNG
(US8815840, 164)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H19Cl2N3O3/c25-15-2-3-16(20(26)12-15)14-10-18-17-9-13(24(31)29-5-7-32-8-6-29)1-4-21(17)28-22(18)19(11-14)23(27)30/h1-4,9-12,28H,5-8H2,(H2,27,30)
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n/an/a 7n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130340
PNG
(US8815840, 501)
Show SMILES Cc1cc(ccc1Cl)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)N1CCOCC1
Show InChI InChI=1S/C23H21ClN4O2/c1-13-10-14(2-5-18(13)24)19-12-17(23(25)29)22-21(26-19)16-4-3-15(11-20(16)27-22)28-6-8-30-9-7-28/h2-5,10-12,27H,6-9H2,1H3,(H2,25,29)
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n/an/a 7n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130332
PNG
(US8815840, 469)
Show SMILES NC(=O)c1nc(cc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O3/c24-22(28)21-20-17(13-18(25-21)14-4-2-1-3-5-14)16-7-6-15(12-19(16)26-20)23(29)27-8-10-30-11-9-27/h1-7,12-13,26H,8-11H2,(H2,24,28)
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n/an/a 11n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130293
PNG
(US8815840, 204)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cccnc3c2c1
Show InChI InChI=1S/C19H15N3O2/c1-24-13-5-2-4-11(8-13)12-9-14-17(15(10-12)19(20)23)22-16-6-3-7-21-18(14)16/h2-10,22H,1H3,(H2,20,23)
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n/an/a 29n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130292
PNG
(US8815840, 203)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccncc3c2c1
Show InChI InChI=1S/C19H15N3O2/c1-24-13-4-2-3-11(7-13)12-8-14-16-10-21-6-5-17(16)22-18(14)15(9-12)19(20)23/h2-10,22H,1H3,(H2,20,23)
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n/an/a 34n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130348
PNG
(US8815840, 579)
Show SMILES NC(=O)c1cc(cc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C26H26N6O4/c27-24(33)21-12-17(18-14-28-26(29-15-18)32-5-9-36-10-6-32)11-20-19-2-1-16(13-22(19)30-23(20)21)25(34)31-3-7-35-8-4-31/h1-2,11-15,30H,3-10H2,(H2,27,33)
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n/an/a 108n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130280
PNG
(US8815840, 143)
Show SMILES COC(=O)c1cccc2[nH]c3c(cc(cc3c12)-c1cccc(OC)c1)C(N)=O
Show InChI InChI=1S/C22H18N2O4/c1-27-14-6-3-5-12(9-14)13-10-16-19-15(22(26)28-2)7-4-8-18(19)24-20(16)17(11-13)21(23)25/h3-11,24H,1-2H3,(H2,23,25)
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n/an/a 110n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130274
PNG
(US8815840, 129)
Show SMILES COc1ccc(cc1)-c1cc(C(N)=O)c2nc3[nH]c(OC)ccc3c2n1
Show InChI InChI=1S/C19H17N4O3/c1-25-11-5-3-10(4-6-11)14-9-13(18(20)24)17-16(21-14)12-7-8-15(26-2)22-19(12)23-17/h3-9,22-23H,1-2H3,(H2,20,24)
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n/an/a 110n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130317
PNG
(US8815840, 395)
Show SMILES COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(O)=O
Show InChI InChI=1S/C21H15FN2O4/c1-28-18-5-3-10(8-16(18)22)12-6-14-13-4-2-11(21(26)27)9-17(13)24-19(14)15(7-12)20(23)25/h2-9,24H,1H3,(H2,23,25)(H,26,27)
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n/an/a 111n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130329
PNG
(US8815840, 462)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1cnoc1
Show InChI InChI=1S/C20H17N5O4/c21-19(26)14-8-15(12-9-22-29-10-12)23-17-13-2-1-11(7-16(13)24-18(14)17)20(27)25-3-5-28-6-4-25/h1-2,7-10,24H,3-6H2,(H2,21,26)
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n/an/a 112n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130333
PNG
(US8815840, 479)
Show SMILES Cc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H30N4O/c1-21-6-5-9-23(16-21)24-17-27-26-11-10-25(19-29(26)33-30(27)28(18-24)31(32)36)35-14-12-34(13-15-35)20-22-7-3-2-4-8-22/h2-11,16-19,33H,12-15,20H2,1H3,(H2,32,36)
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n/an/a 123n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130334
PNG
(US8815840, 481)
Show SMILES NC(=O)c1cc(cc2c3ccc(cc3[nH]c12)-c1cccnc1)-c1ccc(CN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C29H25ClN4O2/c30-26-14-18(3-4-21(26)17-34-8-10-36-11-9-34)22-12-24-23-6-5-19(20-2-1-7-32-16-20)15-27(23)33-28(24)25(13-22)29(31)35/h1-7,12-16,33H,8-11,17H2,(H2,31,35)
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n/an/a 133n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130319
PNG
(US8815840, 403)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C21H23N5O4/c22-20(27)15-12-17(25-3-7-29-8-4-25)24-18-14-2-1-13(11-16(14)23-19(15)18)21(28)26-5-9-30-10-6-26/h1-2,11-12,23H,3-10H2,(H2,22,27)
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n/an/a 142n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130328
PNG
(US8815840, 461)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H21N5O4/c1-11-18(12(2)31-26-11)17-10-15(21(23)28)20-19(25-17)14-4-3-13(9-16(14)24-20)22(29)27-5-7-30-8-6-27/h3-4,9-10,24H,5-8H2,1-2H3,(H2,23,28)
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n/an/a 146n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130278
PNG
(US8815840, 140)
Show SMILES CC(C)Oc1ccc2[nH]c3c(cc(cc3c2c1)-c1ccc(Cl)c(Cl)c1)C(N)=O
Show InChI InChI=1S/C22H18Cl2N2O2/c1-11(2)28-14-4-6-20-15(10-14)16-7-13(8-17(22(25)27)21(16)26-20)12-3-5-18(23)19(24)9-12/h3-11,26H,1-2H3,(H2,25,27)
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n/an/a 150n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130276
PNG
(US8815840, 135)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(NC(=O)OC(C)(C)C)ccc3c2c1
Show InChI InChI=1S/C25H25N3O4/c1-25(2,3)32-24(30)27-16-8-9-18-19-11-15(14-6-5-7-17(10-14)31-4)12-20(23(26)29)22(19)28-21(18)13-16/h5-13,28H,1-4H3,(H2,26,29)(H,27,30)
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n/an/a 160n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130286
PNG
(US8815840, 183)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOC(CO)C1
Show InChI InChI=1S/C28H29N3O7/c1-35-23-11-17(12-24(36-2)26(23)37-3)16-9-20-19-8-15(28(34)31-6-7-38-18(13-31)14-32)4-5-22(19)30-25(20)21(10-16)27(29)33/h4-5,8-12,18,30,32H,6-7,13-14H2,1-3H3,(H2,29,33)
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n/an/a 160n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130263
PNG
(US8815840, 73)
Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C31H35N5O5/c1-31(2,3)41-30(39)34-24-9-7-18(17-26(24)40-5)20-14-22-21-8-6-19(29(38)36-12-10-35(4)11-13-36)16-25(21)33-27(22)23(15-20)28(32)37/h6-9,14-17,33H,10-13H2,1-5H3,(H2,32,37)(H,34,39)
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n/an/a 160n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130294
PNG
(US8815840, 210)
Show SMILES COc1ccc(cc1)-c1nc(C(N)=O)c2[nH]c3cc(OC)ccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c1-25-11-5-3-10(4-6-11)19-22-15-13-8-7-12(26-2)9-14(13)21-16(15)17(23-19)18(20)24/h3-9,21H,1-2H3,(H2,20,24)
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n/an/a 170n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130318
PNG
(US8815840, 402)
Show SMILES CN1CCN(CC1)c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H26N6O3/c1-26-4-6-27(7-5-26)18-13-16(21(23)29)20-19(25-18)15-3-2-14(12-17(15)24-20)22(30)28-8-10-31-11-9-28/h2-3,12-13,24H,4-11H2,1H3,(H2,23,29)
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n/an/a 220n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130320
PNG
(US8815840, 404)
Show SMILES NC(=O)c1cc(nc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C26H32N6O4/c27-25(33)20-16-22(31-5-3-18(4-6-31)30-7-11-35-12-8-30)29-23-19-2-1-17(15-21(19)28-24(20)23)26(34)32-9-13-36-14-10-32/h1-2,15-16,18,28H,3-14H2,(H2,27,33)
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n/an/a 262n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130346
PNG
(US8815840, 558)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H26N4O4/c1-30(2)26(33)17-5-3-16(4-6-17)19-13-21-20-8-7-18(27(34)31-9-11-35-12-10-31)15-23(20)29-24(21)22(14-19)25(28)32/h3-8,13-15,29H,9-12H2,1-2H3,(H2,28,32)
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n/an/a 286n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130277
PNG
(US8815840, 136)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(NC(=O)OCc4ccccc4)ccc3c2c1
Show InChI InChI=1S/C28H23N3O4/c1-34-21-9-5-8-18(12-21)19-13-23-22-11-10-20(15-25(22)31-26(23)24(14-19)27(29)32)30-28(33)35-16-17-6-3-2-4-7-17/h2-15,31H,16H2,1H3,(H2,29,32)(H,30,33)
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n/an/a 290n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130279
PNG
(US8815840, 142)
Show SMILES COC(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1cccc(OC)c1)C(N)=O
Show InChI InChI=1S/C22H18N2O4/c1-27-15-5-3-4-12(8-15)14-9-17-16-7-6-13(22(26)28-2)11-19(16)24-20(17)18(10-14)21(23)25/h3-11,24H,1-2H3,(H2,23,25)
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n/an/a 310n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130330
PNG
(US8815840, 464)
Show SMILES Cn1nc(cc1-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)C(=O)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N6O3/c1-30-16(10-17(29-30)22(23,24)25)15-9-13(20(26)32)19-18(28-15)12-3-2-11(8-14(12)27-19)21(33)31-4-6-34-7-5-31/h2-3,8-10,27H,4-7H2,1H3,(H2,26,32)
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n/an/a 314n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130321
PNG
(US8815840, 405)
Show SMILES NC1CCN(CC1)c1cc(C(N)=O)c2[nH]c3cc(ccc3c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H26N6O3/c23-14-3-5-27(6-4-14)18-12-16(21(24)29)20-19(26-18)15-2-1-13(11-17(15)25-20)22(30)28-7-9-31-10-8-28/h1-2,11-12,14,25H,3-10,23H2,(H2,24,29)
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n/an/a 636n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130336
PNG
(US8815840, 486)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C35H42N4O4/c1-22-17-24(5-6-26(22)21-38-13-15-42-16-14-38)27-18-29-28-8-7-25(20-31(28)37-32(29)30(19-27)33(36)40)23-9-11-39(12-10-23)34(41)43-35(2,3)4/h5-8,17-20,23,37H,9-16,21H2,1-4H3,(H2,36,40)
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n/an/a 818n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130345
PNG
(US8815840, 545)
Show SMILES NC(=O)c1cc(cc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H19ClFN3O3/c25-19-11-13(2-4-20(19)26)15-9-17-16-3-1-14(24(31)29-5-7-32-8-6-29)12-21(16)28-22(17)18(10-15)23(27)30/h1-4,9-12,28H,5-8H2,(H2,27,30)
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n/an/a 885n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130335
PNG
(US8815840, 482)
Show SMILES NC(=O)c1cc(cc2c3ccc(cc3[nH]c12)-c1ccc(nc1)N1CCOCC1)-c1ccc(CN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C33H32ClN5O3/c34-29-17-21(1-2-24(29)20-38-7-11-41-12-8-38)25-15-27-26-5-3-22(18-30(26)37-32(27)28(16-25)33(35)40)23-4-6-31(36-19-23)39-9-13-42-14-10-39/h1-6,15-19,37H,7-14,20H2,(H2,35,40)
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n/an/a 917n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130347
PNG
(US8815840, 563)
Show SMILES NC(=O)c1cc(cc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C25H19FN4O3/c26-21-4-2-14(9-17(21)13-27)16-10-19-18-3-1-15(25(32)30-5-7-33-8-6-30)12-22(18)29-23(19)20(11-16)24(28)31/h1-4,9-12,29H,5-8H2,(H2,28,31)
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n/an/a 1.01E+3n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM130273
PNG
(US8815840, 128)
Show SMILES CNC(=O)c1cc(nc2c3ccc(OC)cc3[nH]c12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H19N3O3/c1-22-21(25)16-11-17(12-4-6-13(26-2)7-5-12)23-19-15-9-8-14(27-3)10-18(15)24-20(16)19/h4-11,24H,1-3H3,(H,22,25)
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n/an/a 1.23E+3n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluor...

US Patent US8815840 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z65
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%