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Patent code US10294226

Compile Data Set for Download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387821
PNG
(N-(2-Cyanoethyl)-2-(1-((1r,4r)-4-(cyanomethyl)cycl...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCC#N
Show InChI InChI=1/C21H23N7O/c22-8-1-10-24-19(29)12-18-27-17-13-26-21-16(7-11-25-21)20(17)28(18)15-4-2-14(3-5-15)6-9-23/h7,11,13-15H,1-6,10,12H2,(H,24,29)(H,25,26)/t14-,15-
PDB

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n/an/a 0.100n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387823
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CCOCC1
Show InChI InChI=1/C24H30N6O2/c25-9-5-16-1-3-18(4-2-16)30-21(13-22(31)27-14-17-7-11-32-12-8-17)29-20-15-28-24-19(23(20)30)6-10-26-24/h6,10,15-18H,1-5,7-8,11-14H2,(H,26,28)(H,27,31)/t16-,18-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387815
PNG
(US10294226, Compound A)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C17H19N5/c1-11-21-15-10-20-17-14(7-9-19-17)16(15)22(11)13-4-2-12(3-5-13)6-8-18/h7,9-10,12-13H,2-6H2,1H3,(H,19,20)/t12-,13-
PDB

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n/an/a<0.200n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387815
PNG
(US10294226, Compound A)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C17H19N5/c1-11-21-15-10-20-17-14(7-9-19-17)16(15)22(11)13-4-2-12(3-5-13)6-8-18/h7,9-10,12-13H,2-6H2,1H3,(H,19,20)/t12-,13-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387816
PNG
(US10294226, Compound B)
Show SMILES OCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C17H19N5O/c18-7-5-11-1-3-12(4-2-11)22-15(10-23)21-14-9-20-17-13(16(14)22)6-8-19-17/h6,8-9,11-12,23H,1-5,10H2,(H,19,20)/t11-,12-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387816
PNG
(US10294226, Compound B)
Show SMILES OCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C17H19N5O/c18-7-5-11-1-3-12(4-2-11)22-15(10-23)21-14-9-20-17-13(16(14)22)6-8-19-17/h6,8-9,11-12,23H,1-5,10H2,(H,19,20)/t11-,12-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387819
PNG
(2-((1r,4r)-4-(2-(1H-Imidazol-4-yl)imidazo[4,5-d]py...)
Show SMILES N#CC[C@H]1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1
Show InChI InChI=1S/C19H17N7/c20-7-5-12-1-3-13(4-2-12)26-17-14-6-8-22-18(14)23-10-15(17)25-19(26)16-9-21-11-24-16/h6,8-13H,1-5H2/b19-16-/t12-,13?
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387817
PNG
(US10294226, Compound C)
Show SMILES C[C@@H](O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C19H23N5O/c1-12(25)10-17-23-16-11-22-19-15(7-9-21-19)18(16)24(17)14-4-2-13(3-5-14)6-8-20/h7,9,11-14,25H,2-6,10H2,1H3,(H,21,22)/t12-,13-,14-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387816
PNG
(US10294226, Compound B)
Show SMILES OCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C17H19N5O/c18-7-5-11-1-3-12(4-2-11)22-15(10-23)21-14-9-20-17-13(16(14)22)6-8-19-17/h6,8-9,11-12,23H,1-5,10H2,(H,19,20)/t11-,12-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387824
PNG
(N-(2-Cyano-2-methylpropyl)-2-(1-((1r,4r)-4-(cyanom...)
Show SMILES CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)C#N
Show InChI InChI=1/C23H27N7O/c1-23(2,13-25)14-28-20(31)11-19-29-18-12-27-22-17(8-10-26-22)21(18)30(19)16-5-3-15(4-6-16)7-9-24/h8,10,12,15-16H,3-7,11,14H2,1-2H3,(H,26,27)(H,28,31)/t15-,16-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387817
PNG
(US10294226, Compound C)
Show SMILES C[C@@H](O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C19H23N5O/c1-12(25)10-17-23-16-11-22-19-15(7-9-21-19)18(16)24(17)14-4-2-13(3-5-14)6-8-20/h7,9,11-14,25H,2-6,10H2,1H3,(H,21,22)/t12-,13-,14-/s2
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387826
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES Cn1cc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cn1
Show InChI InChI=1/C22H24N8O/c1-29-13-15(11-26-29)27-20(31)10-19-28-18-12-25-22-17(7-9-24-22)21(18)30(19)16-4-2-14(3-5-16)6-8-23/h7,9,11-14,16H,2-6,10H2,1H3,(H,24,25)(H,27,31)/t14-,16-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387820
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CC1
Show InChI InChI=1/C22H26N6O/c23-9-7-14-3-5-16(6-4-14)28-19(11-20(29)25-12-15-1-2-15)27-18-13-26-22-17(21(18)28)8-10-24-22/h8,10,13-16H,1-7,11-12H2,(H,24,26)(H,25,29)/t14-,16-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387822
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC1CCOCC1
Show InChI InChI=1/C23H28N6O2/c24-9-5-15-1-3-17(4-2-15)29-20(13-21(30)27-16-7-11-31-12-8-16)28-19-14-26-23-18(22(19)29)6-10-25-23/h6,10,14-17H,1-5,7-8,11-13H2,(H,25,26)(H,27,30)/t15-,17-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387818
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C22H28N6O2/c1-22(2,30)13-26-19(29)11-18-27-17-12-25-21-16(8-10-24-21)20(17)28(18)15-5-3-14(4-6-15)7-9-23/h8,10,12,14-15,30H,3-7,11,13H2,1-2H3,(H,24,25)(H,26,29)/t14-,15-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387828
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)Nc1cc[nH]n1
Show InChI InChI=1/C21H22N8O/c22-8-5-13-1-3-14(4-2-13)29-18(11-19(30)27-17-7-10-25-28-17)26-16-12-24-21-15(20(16)29)6-9-23-21/h6-7,9-10,12-14H,1-5,11H2,(H,23,24)(H2,25,27,28,30)/t13-,14-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387825
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CCC1
Show InChI InChI=1/C23H28N6O2/c24-10-6-15-2-4-16(5-3-15)29-19(12-20(30)27-14-23(31)8-1-9-23)28-18-13-26-22-17(21(18)29)7-11-25-22/h7,11,13,15-16,31H,1-6,8-9,12,14H2,(H,25,26)(H,27,30)/t15-,16-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387817
PNG
(US10294226, Compound C)
Show SMILES C[C@@H](O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C19H23N5O/c1-12(25)10-17-23-16-11-22-19-15(7-9-21-19)18(16)24(17)14-4-2-13(3-5-14)6-8-20/h7,9,11-14,25H,2-6,10H2,1H3,(H,21,22)/t12-,13-,14-/s2
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387815
PNG
(US10294226, Compound A)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C17H19N5/c1-11-21-15-10-20-17-14(7-9-19-17)16(15)22(11)13-4-2-12(3-5-13)6-8-18/h7,9-10,12-13H,2-6H2,1H3,(H,19,20)/t12-,13-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387829
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CC1
Show InChI InChI=1/C22H26N6O2/c23-9-5-14-1-3-15(4-2-14)28-18(11-19(29)26-13-22(30)7-8-22)27-17-12-25-21-16(20(17)28)6-10-24-21/h6,10,12,14-15,30H,1-5,7-8,11,13H2,(H,24,25)(H,26,29)/t14-,15-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387819
PNG
(2-((1r,4r)-4-(2-(1H-Imidazol-4-yl)imidazo[4,5-d]py...)
Show SMILES N#CC[C@H]1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1
Show InChI InChI=1S/C19H17N7/c20-7-5-12-1-3-13(4-2-12)26-17-14-6-8-22-18(14)23-10-15(17)25-19(26)16-9-21-11-24-16/h6,8-13H,1-5H2/b19-16-/t12-,13?
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM387827
PNG
(N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2
Show InChI InChI=1/C27H31N7O/c28-12-5-18-1-3-19(4-2-18)34-22(32-21-16-31-25-20(24(21)34)6-14-30-25)15-23(35)33-27-9-7-26(17-27,8-10-27)11-13-29/h6,14,16,18-19H,1-5,7-11,15,17H2,(H,30,31)(H,33,35)/t18-,19-,26?,27?
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387823
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CCOCC1
Show InChI InChI=1/C24H30N6O2/c25-9-5-16-1-3-18(4-2-16)30-21(13-22(31)27-14-17-7-11-32-12-8-17)29-20-15-28-24-19(23(20)30)6-10-26-24/h6,10,15-18H,1-5,7-8,11-14H2,(H,26,28)(H,27,31)/t16-,18-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387823
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CCOCC1
Show InChI InChI=1/C24H30N6O2/c25-9-5-16-1-3-18(4-2-16)30-21(13-22(31)27-14-17-7-11-32-12-8-17)29-20-15-28-24-19(23(20)30)6-10-26-24/h6,10,15-18H,1-5,7-8,11-14H2,(H,26,28)(H,27,31)/t16-,18-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387819
PNG
(2-((1r,4r)-4-(2-(1H-Imidazol-4-yl)imidazo[4,5-d]py...)
Show SMILES N#CC[C@H]1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1
Show InChI InChI=1S/C19H17N7/c20-7-5-12-1-3-13(4-2-12)26-17-14-6-8-22-18(14)23-10-15(17)25-19(26)16-9-21-11-24-16/h6,8-13H,1-5H2/b19-16-/t12-,13?
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387828
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)Nc1cc[nH]n1
Show InChI InChI=1/C21H22N8O/c22-8-5-13-1-3-14(4-2-13)29-18(11-19(30)27-17-7-10-25-28-17)26-16-12-24-21-15(20(16)29)6-9-23-21/h6-7,9-10,12-14H,1-5,11H2,(H,23,24)(H2,25,27,28,30)/t13-,14-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387828
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)Nc1cc[nH]n1
Show InChI InChI=1/C21H22N8O/c22-8-5-13-1-3-14(4-2-13)29-18(11-19(30)27-17-7-10-25-28-17)26-16-12-24-21-15(20(16)29)6-9-23-21/h6-7,9-10,12-14H,1-5,11H2,(H,23,24)(H2,25,27,28,30)/t13-,14-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387822
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC1CCOCC1
Show InChI InChI=1/C23H28N6O2/c24-9-5-15-1-3-17(4-2-15)29-20(13-21(30)27-16-7-11-31-12-8-16)28-19-14-26-23-18(22(19)29)6-10-25-23/h6,10,14-17H,1-5,7-8,11-13H2,(H,25,26)(H,27,30)/t15-,17-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387821
PNG
(N-(2-Cyanoethyl)-2-(1-((1r,4r)-4-(cyanomethyl)cycl...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCC#N
Show InChI InChI=1/C21H23N7O/c22-8-1-10-24-19(29)12-18-27-17-13-26-21-16(7-11-25-21)20(17)28(18)15-4-2-14(3-5-15)6-9-23/h7,11,13-15H,1-6,10,12H2,(H,24,29)(H,25,26)/t14-,15-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387822
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC1CCOCC1
Show InChI InChI=1/C23H28N6O2/c24-9-5-15-1-3-17(4-2-15)29-20(13-21(30)27-16-7-11-31-12-8-16)28-19-14-26-23-18(22(19)29)6-10-25-23/h6,10,14-17H,1-5,7-8,11-13H2,(H,25,26)(H,27,30)/t15-,17-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387826
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES Cn1cc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cn1
Show InChI InChI=1/C22H24N8O/c1-29-13-15(11-26-29)27-20(31)10-19-28-18-12-25-22-17(7-9-24-22)21(18)30(19)16-4-2-14(3-5-16)6-8-23/h7,9,11-14,16H,2-6,10H2,1H3,(H,24,25)(H,27,31)/t14-,16-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387824
PNG
(N-(2-Cyano-2-methylpropyl)-2-(1-((1r,4r)-4-(cyanom...)
Show SMILES CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)C#N
Show InChI InChI=1/C23H27N7O/c1-23(2,13-25)14-28-20(31)11-19-29-18-12-27-22-17(8-10-26-22)21(18)30(19)16-5-3-15(4-6-16)7-9-24/h8,10,12,15-16H,3-7,11,14H2,1-2H3,(H,26,27)(H,28,31)/t15-,16-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387824
PNG
(N-(2-Cyano-2-methylpropyl)-2-(1-((1r,4r)-4-(cyanom...)
Show SMILES CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)C#N
Show InChI InChI=1/C23H27N7O/c1-23(2,13-25)14-28-20(31)11-19-29-18-12-27-22-17(8-10-26-22)21(18)30(19)16-5-3-15(4-6-16)7-9-24/h8,10,12,15-16H,3-7,11,14H2,1-2H3,(H,26,27)(H,28,31)/t15-,16-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387820
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CC1
Show InChI InChI=1/C22H26N6O/c23-9-7-14-3-5-16(6-4-14)28-19(11-20(29)25-12-15-1-2-15)27-18-13-26-22-17(21(18)28)8-10-24-22/h8,10,13-16H,1-7,11-12H2,(H,24,26)(H,25,29)/t14-,16-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387827
PNG
(N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2
Show InChI InChI=1/C27H31N7O/c28-12-5-18-1-3-19(4-2-18)34-22(32-21-16-31-25-20(24(21)34)6-14-30-25)15-23(35)33-27-9-7-26(17-27,8-10-27)11-13-29/h6,14,16,18-19H,1-5,7-11,15,17H2,(H,30,31)(H,33,35)/t18-,19-,26?,27?
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387826
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES Cn1cc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cn1
Show InChI InChI=1/C22H24N8O/c1-29-13-15(11-26-29)27-20(31)10-19-28-18-12-25-22-17(7-9-24-22)21(18)30(19)16-4-2-14(3-5-16)6-8-23/h7,9,11-14,16H,2-6,10H2,1H3,(H,24,25)(H,27,31)/t14-,16-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387825
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CCC1
Show InChI InChI=1/C23H28N6O2/c24-10-6-15-2-4-16(5-3-15)29-19(12-20(30)27-14-23(31)8-1-9-23)28-18-13-26-22-17(21(18)29)7-11-25-22/h7,11,13,15-16,31H,1-6,8-9,12,14H2,(H,25,26)(H,27,30)/t15-,16-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387821
PNG
(N-(2-Cyanoethyl)-2-(1-((1r,4r)-4-(cyanomethyl)cycl...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCC#N
Show InChI InChI=1/C21H23N7O/c22-8-1-10-24-19(29)12-18-27-17-13-26-21-16(7-11-25-21)20(17)28(18)15-4-2-14(3-5-15)6-9-23/h7,11,13-15H,1-6,10,12H2,(H,24,29)(H,25,26)/t14-,15-
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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387825
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CCC1
Show InChI InChI=1/C23H28N6O2/c24-10-6-15-2-4-16(5-3-15)29-19(12-20(30)27-14-23(31)8-1-9-23)28-18-13-26-22-17(21(18)29)7-11-25-22/h7,11,13,15-16,31H,1-6,8-9,12,14H2,(H,25,26)(H,27,30)/t15-,16-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387818
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C22H28N6O2/c1-22(2,30)13-26-19(29)11-18-27-17-12-25-21-16(8-10-24-21)20(17)28(18)15-5-3-14(4-6-15)7-9-23/h8,10,12,14-15,30H,3-7,11,13H2,1-2H3,(H,24,25)(H,26,29)/t14-,15-
PDB

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n/an/a 7.40n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387818
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C22H28N6O2/c1-22(2,30)13-26-19(29)11-18-27-17-12-25-21-16(8-10-24-21)20(17)28(18)15-5-3-14(4-6-15)7-9-23/h8,10,12,14-15,30H,3-7,11,13H2,1-2H3,(H,24,25)(H,26,29)/t14-,15-
PDB

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n/an/a 8.60n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387829
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CC1
Show InChI InChI=1/C22H26N6O2/c23-9-5-14-1-3-15(4-2-14)28-18(11-19(29)26-13-22(30)7-8-22)27-17-12-25-21-16(20(17)28)6-10-24-21/h6,10,12,14-15,30H,1-5,7-8,11,13H2,(H,24,25)(H,26,29)/t14-,15-
PDB

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n/an/a 8.70n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387827
PNG
(N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2
Show InChI InChI=1/C27H31N7O/c28-12-5-18-1-3-19(4-2-18)34-22(32-21-16-31-25-20(24(21)34)6-14-30-25)15-23(35)33-27-9-7-26(17-27,8-10-27)11-13-29/h6,14,16,18-19H,1-5,7-11,15,17H2,(H,30,31)(H,33,35)/t18-,19-,26?,27?
PDB

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n/an/a 9n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM387829
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CC1
Show InChI InChI=1/C22H26N6O2/c23-9-5-14-1-3-15(4-2-14)28-18(11-19(29)26-13-22(30)7-8-22)27-17-12-25-21-16(20(17)28)6-10-24-21/h6,10,12,14-15,30H,1-5,7-8,11,13H2,(H,24,25)(H,26,29)/t14-,15-
PDB

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n/an/a 9.40n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM387820
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CC1
Show InChI InChI=1/C22H26N6O/c23-9-7-14-3-5-16(6-4-14)28-19(11-20(29)25-12-15-1-2-15)27-18-13-26-22-17(21(18)28)8-10-24-22/h8,10,13-16H,1-7,11-12H2,(H,24,26)(H,25,29)/t14-,16-
PDB

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n/an/a 11.6n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387815
PNG
(US10294226, Compound A)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C17H19N5/c1-11-21-15-10-20-17-14(7-9-19-17)16(15)22(11)13-4-2-12(3-5-13)6-8-18/h7,9-10,12-13H,2-6H2,1H3,(H,19,20)/t12-,13-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387816
PNG
(US10294226, Compound B)
Show SMILES OCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C17H19N5O/c18-7-5-11-1-3-12(4-2-11)22-15(10-23)21-14-9-20-17-13(16(14)22)6-8-19-17/h6,8-9,11-12,23H,1-5,10H2,(H,19,20)/t11-,12-
PDB

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n/an/a 13.4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387822
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC1CCOCC1
Show InChI InChI=1/C23H28N6O2/c24-9-5-15-1-3-17(4-2-15)29-20(13-21(30)27-16-7-11-31-12-8-16)28-19-14-26-23-18(22(19)29)6-10-25-23/h6,10,14-17H,1-5,7-8,11-13H2,(H,25,26)(H,27,30)/t15-,17-
PDB

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n/an/a 23.1n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387823
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CCOCC1
Show InChI InChI=1/C24H30N6O2/c25-9-5-16-1-3-18(4-2-16)30-21(13-22(31)27-14-17-7-11-32-12-8-17)29-20-15-28-24-19(23(20)30)6-10-26-24/h6,10,15-18H,1-5,7-8,11-14H2,(H,26,28)(H,27,31)/t16-,18-
PDB

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n/an/a 28.2n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387828
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)Nc1cc[nH]n1
Show InChI InChI=1/C21H22N8O/c22-8-5-13-1-3-14(4-2-13)29-18(11-19(30)27-17-7-10-25-28-17)26-16-12-24-21-15(20(16)29)6-9-23-21/h6-7,9-10,12-14H,1-5,11H2,(H,23,24)(H2,25,27,28,30)/t13-,14-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387819
PNG
(2-((1r,4r)-4-(2-(1H-Imidazol-4-yl)imidazo[4,5-d]py...)
Show SMILES N#CC[C@H]1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1
Show InChI InChI=1S/C19H17N7/c20-7-5-12-1-3-13(4-2-12)26-17-14-6-8-22-18(14)23-10-15(17)25-19(26)16-9-21-11-24-16/h6,8-13H,1-5H2/b19-16-/t12-,13?
PDB

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n/an/a 33.9n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387817
PNG
(US10294226, Compound C)
Show SMILES C[C@@H](O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C19H23N5O/c1-12(25)10-17-23-16-11-22-19-15(7-9-21-19)18(16)24(17)14-4-2-13(3-5-14)6-8-20/h7,9,11-14,25H,2-6,10H2,1H3,(H,21,22)/t12-,13-,14-/s2
PDB

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n/an/a 49.7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387825
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CCC1
Show InChI InChI=1/C23H28N6O2/c24-10-6-15-2-4-16(5-3-15)29-19(12-20(30)27-14-23(31)8-1-9-23)28-18-13-26-22-17(21(18)29)7-11-25-22/h7,11,13,15-16,31H,1-6,8-9,12,14H2,(H,25,26)(H,27,30)/t15-,16-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387826
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES Cn1cc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cn1
Show InChI InChI=1/C22H24N8O/c1-29-13-15(11-26-29)27-20(31)10-19-28-18-12-25-22-17(7-9-24-22)21(18)30(19)16-4-2-14(3-5-16)6-8-23/h7,9,11-14,16H,2-6,10H2,1H3,(H,24,25)(H,27,31)/t14-,16-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387820
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CC1
Show InChI InChI=1/C22H26N6O/c23-9-7-14-3-5-16(6-4-14)28-19(11-20(29)25-12-15-1-2-15)27-18-13-26-22-17(21(18)28)8-10-24-22/h8,10,13-16H,1-7,11-12H2,(H,24,26)(H,25,29)/t14-,16-
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387827
PNG
(N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2
Show InChI InChI=1/C27H31N7O/c28-12-5-18-1-3-19(4-2-18)34-22(32-21-16-31-25-20(24(21)34)6-14-30-25)15-23(35)33-27-9-7-26(17-27,8-10-27)11-13-29/h6,14,16,18-19H,1-5,7-11,15,17H2,(H,30,31)(H,33,35)/t18-,19-,26?,27?
PDB

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n/an/a 87.5n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387818
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1/C22H28N6O2/c1-22(2,30)13-26-19(29)11-18-27-17-12-25-21-16(8-10-24-21)20(17)28(18)15-5-3-14(4-6-15)7-9-23/h8,10,12,14-15,30H,3-7,11,13H2,1-2H3,(H,24,25)(H,26,29)/t14-,15-
PDB

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n/an/a 92.2n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387821
PNG
(N-(2-Cyanoethyl)-2-(1-((1r,4r)-4-(cyanomethyl)cycl...)
Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCC#N
Show InChI InChI=1/C21H23N7O/c22-8-1-10-24-19(29)12-18-27-17-13-26-21-16(7-11-25-21)20(17)28(18)15-4-2-14(3-5-15)6-9-23/h7,11,13-15H,1-6,10,12H2,(H,24,29)(H,25,26)/t14-,15-
PDB

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n/an/a 96.2n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387824
PNG
(N-(2-Cyano-2-methylpropyl)-2-(1-((1r,4r)-4-(cyanom...)
Show SMILES CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)C#N
Show InChI InChI=1/C23H27N7O/c1-23(2,13-25)14-28-20(31)11-19-29-18-12-27-22-17(8-10-26-22)21(18)30(19)16-5-3-15(4-6-16)7-9-24/h8,10,12,15-16H,3-7,11,14H2,1-2H3,(H,26,27)(H,28,31)/t15-,16-
PDB

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UniProtKB/SwissProt

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DrugBank
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US Patent
n/an/a 98.4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM387829
PNG
(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...)
Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CC1
Show InChI InChI=1/C22H26N6O2/c23-9-5-14-1-3-15(4-2-14)28-18(11-19(29)26-13-22(30)7-8-22)27-17-12-25-21-16(20(17)28)6-10-24-21/h6,10,12,14-15,30H,1-5,7-8,11,13H2,(H,24,25)(H,26,29)/t14-,15-
PDB

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UniProtKB/SwissProt

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DrugBank
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n/an/a 101n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...


US Patent US10294226 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%