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Patent code US9328099

Compile Data Set for Download or QSAR

Found 1336 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))		BDBM229207
PNG
(US9328099, 30-34)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OC1Cc2ccccc2C1
Show InChI InChI=1S/C27H28N6O3/c28-13-10-27(33-18-23(24(29)34)25(31-33)30-21-8-2-1-3-9-21)11-14-32(15-12-27)26(35)36-22-16-19-6-4-5-7-20(19)17-22/h1-9,18,22H,10-12,14-17H2,(H2,29,34)(H,30,31)
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n/an/a 83n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229212
PNG
(US9328099, 30-39)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OCc1cccnc1
Show InChI InChI=1S/C24H25N7O3/c25-11-8-24(9-13-30(14-10-24)23(33)34-17-18-5-4-12-27-15-18)31-16-20(21(26)32)22(29-31)28-19-6-2-1-3-7-19/h1-7,12,15-16H,8-10,13-14,17H2,(H2,26,32)(H,28,29)
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n/an/a 38n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229213
PNG
(US9328099, 30-40)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)OCc1ccncc1
Show InChI InChI=1S/C24H25N7O3/c25-11-8-24(9-14-30(15-10-24)23(33)34-17-18-6-12-27-13-7-18)31-16-20(21(26)32)22(29-31)28-19-4-2-1-3-5-19/h1-7,12-13,16H,8-10,14-15,17H2,(H2,26,32)(H,28,29)
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n/an/a 58n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229231
PNG
(US9328099, 30-60)
Show SMILES CCOC(=O)COC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C20H22N6O5/c1-2-30-16(27)11-31-19(29)25-12-20(13-25,8-9-21)26-10-15(17(22)28)18(24-26)23-14-6-4-3-5-7-14/h3-7,10H,2,8,11-13H2,1H3,(H2,22,28)(H,23,24)
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n/an/a 484n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229249
PNG
(US9328099, 30-78)
Show SMILES C[C@@H](OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1)C1CC1 |r|
Show InChI InChI=1S/C22H26FN7O3/c1-14(15-2-3-15)33-21(32)29-10-6-22(5-8-24,7-11-29)30-13-17(19(25)31)20(28-30)27-16-4-9-26-18(23)12-16/h4,9,12-15H,2-3,5-7,10-11H2,1H3,(H2,25,31)(H,26,27,28)/t14-/m1/s1
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n/an/a 12n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229253
PNG
(US9328099, 33-2)
Show SMILES C\C=C\C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C21H24N6O2/c1-2-6-18(28)26-13-10-21(9-12-22,11-14-26)27-15-17(19(23)29)20(25-27)24-16-7-4-3-5-8-16/h2-8,15H,9-11,13-14H2,1H3,(H2,23,29)(H,24,25)/b6-2+
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n/an/a 64n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229255
PNG
(US9328099, 34-2)
Show SMILES COCC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C20H24N6O3/c1-29-14-17(27)25-11-8-20(7-10-21,9-12-25)26-13-16(18(22)28)19(24-26)23-15-5-3-2-4-6-15/h2-6,13H,7-9,11-12,14H2,1H3,(H2,22,28)(H,23,24)
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n/an/a 93n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229275
PNG
(US9328099, 34-22)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H25N7O2/c27-13-10-26(33-17-20(23(28)34)24(31-33)29-19-7-2-1-3-8-19)11-14-32(15-12-26)25(35)22-16-18-6-4-5-9-21(18)30-22/h1-9,16-17,30H,10-12,14-15H2,(H2,28,34)(H,29,31)
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n/an/a 176n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229299
PNG
(US9328099, 34-46)
Show SMILES CC(C)[C@@H](O)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |r|
Show InChI InChI=1S/C21H26FN7O3/c1-13(2)17(30)20(32)28-9-5-21(4-7-23,6-10-28)29-12-15(18(24)31)19(27-29)26-14-3-8-25-16(22)11-14/h3,8,11-13,17,30H,4-6,9-10H2,1-2H3,(H2,24,31)(H,25,26,27)/t17-/m1/s1
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n/an/a 139n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229312
PNG
(US9328099, 34-59)
Show SMILES CCC(F)(F)C(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
Show InChI InChI=1S/C20H22F3N7O2/c1-2-20(22,23)18(32)29-9-5-19(4-7-24,6-10-29)30-12-14(16(25)31)17(28-30)27-13-3-8-26-15(21)11-13/h3,8,11-12H,2,4-6,9-10H2,1H3,(H2,25,31)(H,26,27,28)
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n/an/a 3n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229319
PNG
(US9328099, 36-1)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)C(=O)CC#N
Show InChI InChI=1S/C20H21N7O2/c21-10-6-17(28)26-12-8-20(7-11-22,9-13-26)27-14-16(18(23)29)19(25-27)24-15-4-2-1-3-5-15/h1-5,14H,6-9,12-13H2,(H2,23,29)(H,24,25)
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n/an/a 77n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229322
PNG
(US9328099, 37-2)
Show SMILES CS(=O)(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)23-11-8-18(7-10-19,9-12-23)24-13-15(16(20)25)17(22-24)21-14-5-3-2-4-6-14/h2-6,13H,7-9,11-12H2,1H3,(H2,20,25)(H,21,22)
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n/an/a 3n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229331
PNG
(US9328099, 37-11)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN6O3S/c24-17-5-4-8-19(15-17)34(32,33)29-13-10-23(9-12-25,11-14-29)30-16-20(21(26)31)22(28-30)27-18-6-2-1-3-7-18/h1-8,15-16H,9-11,13-14H2,(H2,26,31)(H,27,28)
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n/an/a 2n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229332
PNG
(US9328099, 37-12)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN6O3S/c24-19-8-4-5-9-20(19)34(32,33)29-14-11-23(10-13-25,12-15-29)30-16-18(21(26)31)22(28-30)27-17-6-2-1-3-7-17/h1-9,16H,10-12,14-15H2,(H2,26,31)(H,27,28)
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n/an/a 9n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229335
PNG
(US9328099, 37-15)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CCN(CC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C20H24N6O3S/c21-11-8-20(9-12-25(13-10-20)30(28,29)16-6-7-16)26-14-17(18(22)27)19(24-26)23-15-4-2-1-3-5-15/h1-5,14,16H,6-10,12-13H2,(H2,22,27)(H,23,24)
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n/an/a 3n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229336
PNG
(US9328099, 37-16)
Show SMILES CS(=O)(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C16H18N6O3S/c1-26(24,25)21-10-16(11-21,7-8-17)22-9-13(14(18)23)15(20-22)19-12-5-3-2-4-6-12/h2-6,9H,7,10-11H2,1H3,(H2,18,23)(H,19,20)
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n/an/a 366n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229345
PNG
(US9328099, 38-5)
Show SMILES CCCCNC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C20H25N7O2/c1-2-3-11-23-19(29)26-13-20(14-26,9-10-21)27-12-16(17(22)28)18(25-27)24-15-7-5-4-6-8-15/h4-8,12H,2-3,9,11,13-14H2,1H3,(H2,22,28)(H,23,29)(H,24,25)
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n/an/a 214n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229349
PNG
(US9328099, 38-9)
Show SMILES CCOC(=O)C(C)NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C21H25N7O4/c1-3-32-19(30)14(2)24-20(31)27-12-21(13-27,9-10-22)28-11-16(17(23)29)18(26-28)25-15-7-5-4-6-8-15/h4-8,11,14H,3,9,12-13H2,1-2H3,(H2,23,29)(H,24,31)(H,25,26)
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n/an/a 558n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229353
PNG
(US9328099, 38-13)
Show SMILES Cc1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)cc1Cl
Show InChI InChI=1S/C23H22ClN7O2/c1-15-7-8-17(11-19(15)24)28-22(33)30-13-23(14-30,9-10-25)31-12-18(20(26)32)21(29-31)27-16-5-3-2-4-6-16/h2-8,11-12H,9,13-14H2,1H3,(H2,26,32)(H,27,29)(H,28,33)
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n/an/a 339n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229354
PNG
(US9328099, 38-14)
Show SMILES Cc1cc(Cl)ccc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C23H22ClN7O2/c1-15-11-16(24)7-8-19(15)28-22(33)30-13-23(14-30,9-10-25)31-12-18(20(26)32)21(29-31)27-17-5-3-2-4-6-17/h2-8,11-12H,9,13-14H2,1H3,(H2,26,32)(H,27,29)(H,28,33)
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n/an/a 334n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229357
PNG
(US9328099, 38-17)
Show SMILES Cc1ccc(Cl)cc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C23H22ClN7O2/c1-15-7-8-16(24)11-19(15)28-22(33)30-13-23(14-30,9-10-25)31-12-18(20(26)32)21(29-31)27-17-5-3-2-4-6-17/h2-8,11-12H,9,13-14H2,1H3,(H2,26,32)(H,27,29)(H,28,33)
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n/an/a 149n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229362
PNG
(US9328099, 38-22)
Show SMILES Cc1c(Cl)cccc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C23H22ClN7O2/c1-15-18(24)8-5-9-19(15)28-22(33)30-13-23(14-30,10-11-25)31-12-17(20(26)32)21(29-31)27-16-6-3-2-4-7-16/h2-9,12H,10,13-14H2,1H3,(H2,26,32)(H,27,29)(H,28,33)
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n/an/a 249n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229376
PNG
(US9328099, 38-36)
Show SMILES COc1ccc(NC(=O)N2CC(CC#N)(C2)n2cc(C(N)=O)c(Nc3ccccc3)n2)c(C)c1
Show InChI InChI=1S/C24H25N7O3/c1-16-12-18(34-2)8-9-20(16)28-23(33)30-14-24(15-30,10-11-25)31-13-19(21(26)32)22(29-31)27-17-6-4-3-5-7-17/h3-9,12-13H,10,14-15H2,1-2H3,(H2,26,32)(H,27,29)(H,28,33)
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n/an/a 233n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229379
PNG
(US9328099, 38-39)
Show SMILES CCc1ccccc1NC(=O)N1CC(CC#N)(C1)n1cc(C(N)=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C24H25N7O2/c1-2-17-8-6-7-11-20(17)28-23(33)30-15-24(16-30,12-13-25)31-14-19(21(26)32)22(29-31)27-18-9-4-3-5-10-18/h3-11,14H,2,12,15-16H2,1H3,(H2,26,32)(H,27,29)(H,28,33)
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n/an/a 303n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229385
PNG
(US9328099, 38-45)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1(CC#N)CCN(CC1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C26H23F3N8O4S/c27-26(28,29)42(40,41)20-7-5-18(6-8-20)33-23-21(22(32)38)16-37(35-23)25(9-12-30)10-13-36(14-11-25)24(39)34-19-3-1-17(15-31)2-4-19/h1-8,16H,9-11,13-14H2,(H2,32,38)(H,33,35)(H,34,39)
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n/an/a 0.5n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229409
PNG
(US9328099, 40-21)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)N1CCc2ccccc12
Show InChI InChI=1S/C26H27FN6O/c27-19-5-7-20(8-6-19)30-25-22(24(29)34)17-33(31-25)26(14-15-28)12-9-21(10-13-26)32-16-11-18-3-1-2-4-23(18)32/h1-8,17,21H,9-14,16H2,(H2,29,34)(H,30,31)
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n/an/a>1.50E+3n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229410
PNG
(US9328099, 40-23)
Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NC1CCCCC1 |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-3.46,-3.93,;-4.55,-5.02,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-4.21,3.67,;-5.54,2.9,;-5.54,1.36,;-4.21,.59,;-2.87,1.36,)|
Show InChI InChI=1S/C23H30FN7O/c24-20-14-18(8-13-27-20)29-22-19(21(26)32)15-31(30-22)23(11-12-25)9-6-17(7-10-23)28-16-4-2-1-3-5-16/h8,13-17,28H,1-7,9-11H2,(H2,26,32)(H,27,29,30)
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n/an/a 237n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229413
PNG
(US9328099, 40-28 | US9328099, 40-57)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)C(F)F)C1(CC#N)CCC(CC1)NC1CCCCC1 |(4.42,-5.21,;5.19,-3.88,;6.73,-3.88,;4.42,-2.55,;4.9,-1.08,;3.65,-.18,;2.41,-1.08,;2.88,-2.55,;1.79,-3.64,;.31,-3.24,;-.09,-1.75,;-1.58,-1.35,;-2.67,-2.44,;-2.27,-3.93,;-.78,-4.33,;-4.16,-2.04,;-5.64,-1.64,;-5.25,-3.13,;-6.73,-2.73,;-4.85,-4.62,;3.65,1.36,;4.99,2.13,;4.99,3.67,;4.99,5.21,;2.32,.59,;.99,1.36,;.99,2.9,;2.32,3.67,;3.65,2.9,;-.35,3.67,;-1.68,2.9,;-3.02,3.67,;-4.35,2.9,;-4.35,1.36,;-3.02,.59,;-1.68,1.36,)|
Show InChI InChI=1S/C25H32F2N6O2S/c26-24(27)36(35)20-8-6-18(7-9-20)31-23-21(22(29)34)16-33(32-23)25(14-15-28)12-10-19(11-13-25)30-17-4-2-1-3-5-17/h6-9,16-17,19,24,30H,1-5,10-14H2,(H2,29,34)(H,31,32)
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n/an/a 32n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229417
PNG
(US9328099, 40-32)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1ccccc1O |(4.42,-5.21,;5.19,-3.88,;6.73,-3.88,;4.42,-2.55,;4.9,-1.08,;3.65,-.18,;2.41,-1.08,;2.88,-2.55,;1.79,-3.64,;.31,-3.24,;-.09,-1.75,;-1.58,-1.35,;-2.67,-2.44,;-2.27,-3.93,;-.78,-4.33,;-4.16,-2.04,;-5.64,-1.64,;-5.25,-3.13,;-6.73,-2.73,;-4.85,-4.62,;3.65,1.36,;4.99,2.13,;4.99,3.67,;4.99,5.21,;2.32,.59,;.99,1.36,;.99,2.9,;2.32,3.67,;3.65,2.9,;-.35,3.67,;-1.68,2.9,;-1.68,1.36,;-3.02,.59,;-4.35,1.36,;-4.35,2.9,;-3.02,3.67,;-3.02,5.21,)|
Show InChI InChI=1S/C25H26F2N6O3S/c26-24(27)37(36)18-7-5-16(6-8-18)31-23-19(22(29)35)15-33(32-23)25(13-14-28)11-9-17(10-12-25)30-20-3-1-2-4-21(20)34/h1-8,15,17,24,30,34H,9-13H2,(H2,29,35)(H,31,32)
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n/an/a 177n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM228213
PNG
(US9328099, 40-36)
Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccc(F)c(F)c1 |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.97,-4.33,;-3.46,-3.93,;-3.86,-2.44,;-2.77,-1.35,;-3.09,.16,;-1.28,-1.75,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-2.87,1.36,;-4.21,.59,;-5.54,1.36,;-6.87,.59,;-5.54,2.9,;-6.87,3.67,;-4.21,3.67,)|
Show InChI InChI=1S/C23H22F3N7O/c24-18-2-1-15(11-19(18)25)30-14-3-6-23(7-4-14,8-9-27)33-13-17(21(28)34)22(32-33)31-16-5-10-29-20(26)12-16/h1-2,5,10-14,30H,3-4,6-8H2,(H2,28,34)(H,29,31,32)
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n/an/a>1.50E+3n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229425
PNG
(US9328099, 40-45)
Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccc(Cl)cc1 |(3.9,-5.21,;4.67,-3.88,;6.21,-3.88,;3.9,-2.55,;4.37,-1.08,;3.13,-.18,;1.88,-1.08,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-2.8,-3.93,;-3.88,-5.02,;-1.31,-4.33,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;1.79,.59,;.46,1.36,;.46,2.9,;1.79,3.67,;3.13,2.9,;-.87,3.67,;-2.21,2.9,;-3.54,3.67,;-4.87,2.9,;-4.87,1.36,;-6.21,.59,;-3.54,.59,;-2.21,1.36,)|
Show InChI InChI=1S/C23H23ClFN7O/c24-15-1-3-16(4-2-15)29-17-5-8-23(9-6-17,10-11-26)32-14-19(21(27)33)22(31-32)30-18-7-12-28-20(25)13-18/h1-4,7,12-14,17,29H,5-6,8-10H2,(H2,27,33)(H,28,30,31)
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n/an/a 770n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229413
PNG
(US9328099, 40-28 | US9328099, 40-57)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)C(F)F)C1(CC#N)CCC(CC1)NC1CCCCC1 |(4.42,-5.21,;5.19,-3.88,;6.73,-3.88,;4.42,-2.55,;4.9,-1.08,;3.65,-.18,;2.41,-1.08,;2.88,-2.55,;1.79,-3.64,;.31,-3.24,;-.09,-1.75,;-1.58,-1.35,;-2.67,-2.44,;-2.27,-3.93,;-.78,-4.33,;-4.16,-2.04,;-5.64,-1.64,;-5.25,-3.13,;-6.73,-2.73,;-4.85,-4.62,;3.65,1.36,;4.99,2.13,;4.99,3.67,;4.99,5.21,;2.32,.59,;.99,1.36,;.99,2.9,;2.32,3.67,;3.65,2.9,;-.35,3.67,;-1.68,2.9,;-3.02,3.67,;-4.35,2.9,;-4.35,1.36,;-3.02,.59,;-1.68,1.36,)|
Show InChI InChI=1S/C25H32F2N6O2S/c26-24(27)36(35)20-8-6-18(7-9-20)31-23-21(22(29)34)16-33(32-23)25(14-15-28)12-10-19(11-13-25)30-17-4-2-1-3-5-17/h6-9,16-17,19,24,30H,1-5,10-14H2,(H2,29,34)(H,31,32)
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n/an/a>1.50E+3n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229434
PNG
(US9328099, 40-59)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1ccc(O)cc1 |(4.42,-5.21,;5.19,-3.88,;6.73,-3.88,;4.42,-2.55,;4.9,-1.08,;3.65,-.18,;2.41,-1.08,;2.88,-2.55,;1.79,-3.64,;.31,-3.24,;-.09,-1.75,;-1.58,-1.35,;-2.67,-2.44,;-2.27,-3.93,;-.78,-4.33,;-4.16,-2.04,;-3.84,-.53,;-4.63,-3.51,;-5.62,-1.57,;-6.77,-2.6,;-6.1,-.1,;3.65,1.36,;4.99,2.13,;4.99,3.67,;4.99,5.21,;2.32,.59,;.99,1.36,;.99,2.9,;2.32,3.67,;3.65,2.9,;-.35,3.67,;-1.68,2.9,;-3.02,3.67,;-4.35,2.9,;-4.35,1.36,;-5.68,.59,;-3.02,.59,;-1.68,1.36,)|
Show InChI InChI=1S/C25H26F2N6O4S/c26-24(27)38(36,37)20-7-3-17(4-8-20)31-23-21(22(29)35)15-33(32-23)25(13-14-28)11-9-18(10-12-25)30-16-1-5-19(34)6-2-16/h1-8,15,18,24,30,34H,9-13H2,(H2,29,35)(H,31,32)
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n/an/a 3n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM228237
PNG
(BDBM229433 | US9328099, 40-60)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1ccccc1F |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-5.35,-2.04,;-3.46,-3.93,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-2.87,1.36,;-4.21,.59,;-5.54,1.36,;-5.54,2.9,;-4.21,3.67,;-4.21,5.21,)|
Show InChI InChI=1S/C24H24F2N6O/c25-16-5-7-17(8-6-16)30-23-19(22(28)33)15-32(31-23)24(13-14-27)11-9-18(10-12-24)29-21-4-2-1-3-20(21)26/h1-8,15,18,29H,9-13H2,(H2,28,33)(H,30,31)
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n/an/a 758n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229437
PNG
(US9328099, 40-68)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)NCCO |(3.23,-5.21,;4,-3.88,;5.54,-3.88,;3.23,-2.55,;3.71,-1.08,;2.46,-.18,;1.22,-1.08,;1.69,-2.55,;.6,-3.64,;-.89,-3.24,;-1.28,-1.75,;-2.77,-1.35,;-3.86,-2.44,;-5.35,-2.04,;-3.46,-3.93,;-1.97,-4.33,;2.46,1.36,;3.79,2.13,;3.79,3.67,;3.79,5.21,;1.13,.59,;-.21,1.36,;-.21,2.9,;1.13,3.67,;2.46,2.9,;-1.54,3.67,;-2.87,2.9,;-4.21,3.67,;-5.54,2.9,)|
Show InChI InChI=1S/C20H25FN6O2/c21-14-1-3-16(4-2-14)25-19-17(18(23)29)13-27(26-19)20(9-10-22)7-5-15(6-8-20)24-11-12-28/h1-4,13,15,24,28H,5-9,11-12H2,(H2,23,29)(H,25,26)
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n/an/a 981n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229441
PNG
(US9328099, 40-72)
Show SMILES CN(CCS(C)(=O)=O)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 |(-.87,5.21,;-.87,3.67,;-2.21,2.9,;-3.54,3.67,;-4.87,2.9,;-4.87,1.36,;-6.21,3.67,;-6.21,2.13,;.46,2.9,;.46,1.36,;1.79,.59,;3.13,1.36,;4.46,2.13,;4.46,3.67,;4.46,5.21,;3.13,2.9,;1.79,3.67,;3.13,-.18,;4.37,-1.08,;3.9,-2.55,;4.67,-3.88,;3.9,-5.21,;6.21,-3.88,;2.36,-2.55,;1.27,-3.64,;-.22,-3.24,;-.62,-1.75,;-2.1,-1.35,;-3.19,-2.44,;-4.68,-2.04,;-2.8,-3.93,;-1.31,-4.33,;1.88,-1.08,)|
Show InChI InChI=1S/C22H29FN6O3S/c1-28(13-14-33(2,31)32)18-7-9-22(10-8-18,11-12-24)29-15-19(20(25)30)21(27-29)26-17-5-3-16(23)4-6-17/h3-6,15,18H,7-11,13-14H2,1-2H3,(H2,25,30)(H,26,27)
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n/an/a 37n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229453
PNG
(US9328099, 40-85)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)NCC(F)(F)F
Show InChI InChI=1S/C21H23F5N6O3S/c22-19(23)36(34,35)15-3-1-14(2-4-15)30-18-16(17(28)33)11-32(31-18)20(9-10-27)7-5-13(6-8-20)29-12-21(24,25)26/h1-4,11,13,19,29H,5-9,12H2,(H2,28,33)(H,30,31)
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n/an/a 0.200n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229454
PNG
(US9328099, 40-86)
Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccccc1 |(-7.09,2.62,;-5.61,3.02,;-5.21,4.51,;-4.52,1.93,;-3.05,2.41,;-2.15,1.16,;-3.05,-.09,;-4.52,.39,;-5.61,-.7,;-5.21,-2.19,;-6.3,-3.28,;-5.9,-4.76,;-4.41,-5.16,;-3.32,-4.07,;-1.83,-4.47,;-3.72,-2.58,;-.61,1.16,;-1.38,2.49,;-.61,3.83,;.16,5.16,;.16,2.49,;1.7,2.49,;2.47,1.16,;1.7,-.17,;.16,-.17,;4.01,1.16,;4.78,2.49,;6.32,2.49,;7.09,3.83,;6.32,5.16,;4.78,5.16,;4.01,3.83,)|
Show InChI InChI=1S/C23H24FN7O/c24-20-14-18(8-13-27-20)29-22-19(21(26)32)15-31(30-22)23(11-12-25)9-6-17(7-10-23)28-16-4-2-1-3-5-16/h1-5,8,13-15,17,28H,6-7,9-11H2,(H2,26,32)(H,27,29,30)
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n/an/a 0.600n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229456
PNG
(US9328099, 40-88)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)Nc1ccccc1
Show InChI InChI=1S/C25H26F2N6O3S/c26-24(27)37(35,36)20-8-6-18(7-9-20)31-23-21(22(29)34)16-33(32-23)25(14-15-28)12-10-19(11-13-25)30-17-4-2-1-3-5-17/h1-9,16,19,24,30H,10-14H2,(H2,29,34)(H,31,32)
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n/an/a>1.50E+3n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229463
PNG
(US9328099, 40-96)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCC(CC1)Nc1ccccc1
Show InChI InChI=1S/C24H25FN6O/c25-17-6-8-19(9-7-17)29-23-21(22(27)32)16-31(30-23)24(14-15-26)12-10-20(11-13-24)28-18-4-2-1-3-5-18/h1-9,16,20,28H,10-14H2,(H2,27,32)(H,29,30)
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n/an/a 2n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229481
PNG
(US9328099, 41-7)
Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccc1O |(-6.09,3.23,;-4.75,4,;-4.75,5.54,;-3.42,3.23,;-1.95,3.71,;-1.05,2.46,;-1.95,1.22,;-3.42,1.69,;-4.75,.92,;-4.75,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.09,-2.93,;-7.42,-3.7,;-6.09,-1.39,;.49,2.46,;1.26,3.79,;2.8,3.79,;4.34,3.79,;-.28,1.13,;.49,-.21,;2.03,-.21,;2.8,1.13,;2.03,2.46,;2.8,-1.54,;4.34,-1.54,;5.11,-2.87,;4.34,-4.21,;5.11,-5.54,;6.65,-5.54,;7.42,-4.21,;6.65,-2.87,;7.42,-1.54,)|
Show InChI InChI=1S/C24H26FN7O2/c25-21-13-18(7-12-28-21)30-23-19(22(27)34)15-32(31-23)24(10-11-26)8-5-17(6-9-24)29-14-16-3-1-2-4-20(16)33/h1-4,7,12-13,15,17,29,33H,5-6,8-10,14H2,(H2,27,34)(H,28,30,31)
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n/an/a 468n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM228311
PNG
(US9328099, 41-25)
Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccc(F)cc1 |(-6.09,4.56,;-4.75,5.33,;-4.75,6.87,;-3.42,4.56,;-1.95,5.04,;-1.05,3.79,;-1.95,2.55,;-3.42,3.02,;-4.75,2.25,;-4.75,.71,;-3.42,-.06,;-3.42,-1.6,;-4.75,-2.37,;-6.09,-1.6,;-7.42,-2.37,;-6.09,-.06,;.49,3.79,;1.26,5.13,;2.8,5.13,;4.34,5.13,;-.28,2.46,;.49,1.13,;2.03,1.13,;2.8,2.46,;2.03,3.79,;2.8,-.21,;4.34,-.21,;5.11,-1.54,;4.34,-2.87,;5.11,-4.21,;6.65,-4.21,;7.42,-5.54,;7.42,-2.87,;6.65,-1.54,)|
Show InChI InChI=1S/C24H25F2N7O/c25-17-3-1-16(2-4-17)14-30-18-5-8-24(9-6-18,10-11-27)33-15-20(22(28)34)23(32-33)31-19-7-12-29-21(26)13-19/h1-4,7,12-13,15,18,30H,5-6,8-10,14H2,(H2,28,34)(H,29,31,32)
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n/an/a 1.08E+3n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229520
PNG
(US9328099, 43-2)
Show SMILES CC(F)(F)C(=O)N1CC[C@](CC#N)([C@H](F)C1)n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1 |r|
Show InChI InChI=1S/C19H19F4N7O2/c1-18(22,23)17(32)29-7-5-19(4-6-24,13(20)10-29)30-9-12(15(25)31)16(28-30)27-11-2-3-14(21)26-8-11/h2-3,8-9,13H,4-5,7,10H2,1H3,(H2,25,31)(H,27,28)/t13-,19-/m1/s1
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n/an/a 67n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229501
PNG
(US9328099, 43-3)
Show SMILES CC(F)(F)C(=O)N1CC[C@@](CC#N)([C@H](F)C1)n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1 |r|
Show InChI InChI=1S/C19H19F4N7O2/c1-18(22,23)17(32)29-7-5-19(4-6-24,13(20)10-29)30-9-12(15(25)31)16(28-30)27-11-2-3-14(21)26-8-11/h2-3,8-9,13H,4-5,7,10H2,1H3,(H2,25,31)(H,27,28)/t13-,19+/m1/s1
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n/an/a 5n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM229507
PNG
(US9328099, 46)
Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@]1(CC#N)CCN(C[C@@H]1F)C(=O)OCC(F)F |r|
Show InChI InChI=1S/C19H19F4N7O3/c20-13-9-29(18(32)33-10-14(21)22)6-3-19(13,2-4-24)30-8-12(16(25)31)17(28-30)27-11-1-5-26-15(23)7-11/h1,5,7-8,13-14H,2-3,6,9-10H2,(H2,25,31)(H,26,27,28)/t13-,19+/m0/s1
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n/an/a 0.100n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM228887
PNG
(US9328099, 2-18)
Show SMILES CC(C)(C)OC(=O)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccccc2)n1 |(7,-1.12,;5.67,-1.89,;5.67,-3.43,;7,-2.66,;4.33,-1.12,;3,-1.89,;3,-3.43,;1.66,-1.12,;.18,-1.52,;-.91,-.43,;-.51,1.06,;-.51,2.6,;-1.28,3.93,;-2.05,5.26,;.97,1.46,;2.06,.37,;-2.05,1.06,;-2.96,2.3,;-4.42,1.83,;-5.51,2.92,;-5.11,4.4,;-7,2.52,;-4.42,.29,;-5.51,-.8,;-5.11,-2.29,;-6.2,-3.38,;-5.8,-4.87,;-4.32,-5.26,;-3.23,-4.18,;-3.63,-2.69,;-2.96,-.19,)|
Show InChI InChI=1S/C23H29N5O3/c1-22(2,3)31-21(30)16-9-11-23(12-10-16,13-14-24)28-15-18(19(25)29)20(27-28)26-17-7-5-4-6-8-17/h4-8,15-16H,9-13H2,1-3H3,(H2,25,29)(H,26,27)
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n/an/a 3n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM228894
PNG
(US9328099, 3-2)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cncc2ccccc12
Show InChI InChI=1S/C26H24FN7O/c27-19-5-7-20(8-6-19)31-25-22(24(29)35)17-34(32-25)26(9-12-28)10-13-33(14-11-26)23-16-30-15-18-3-1-2-4-21(18)23/h1-8,15-17H,9-11,13-14H2,(H2,29,35)(H,31,32)
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n/an/a 6n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM228897
PNG
(US9328099, 3-5)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cncc(F)c1
Show InChI InChI=1S/C22H21F2N7O/c23-15-1-3-17(4-2-15)28-21-19(20(26)32)14-31(29-21)22(5-8-25)6-9-30(10-7-22)18-11-16(24)12-27-13-18/h1-4,11-14H,5-7,9-10H2,(H2,26,32)(H,28,29)
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n/an/a 0.200n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM228900
PNG
(US9328099, 3-8)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C23H21F4N7O/c24-16-1-3-17(4-2-16)31-21-19(20(29)35)14-34(32-21)22(5-8-28)6-9-33(10-7-22)18-11-15(12-30-13-18)23(25,26)27/h1-4,11-14H,5-7,9-10H2,(H2,29,35)(H,31,32)
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n/an/a 1n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM228901
PNG
(US9328099, 3-9)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1ccc(cc1)C(O)C(F)(F)F
Show InChI InChI=1S/C25H24F4N6O2/c26-17-3-5-18(6-4-17)32-23-20(22(31)37)15-35(33-23)24(9-12-30)10-13-34(14-11-24)19-7-1-16(2-8-19)21(36)25(27,28)29/h1-8,15,21,36H,9-11,13-14H2,(H2,31,37)(H,32,33)
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n/an/a 1n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...

US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%