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Patent code US10577373

Compile Data Set for Download or QSAR

Found 1366 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
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM435369
PNG
(US10577373, Compound I-529)
Show SMILES CNc1cc(Nc2cc(F)cn(C3CCOCC3)c2=O)nc2c(cnn12)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C23H30FN7O4/c1-23(2,13-32)12-26-21(33)16-10-27-31-19(25-3)9-18(29-20(16)31)28-17-8-14(24)11-30(22(17)34)15-4-6-35-7-5-15/h8-11,15,25,32H,4-7,12-13H2,1-3H3,(H,26,33)(H,28,29)
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US Patent
n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424078
PNG
(US10508120, Compound I-533 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cc(F)cn([C@@H]3CCCOC3)c2=O)nc2c(cnn12)C(=O)NC1CC1
Show InChI InChI=1S/C21H24FN7O3/c1-23-18-8-17(27-19-15(9-24-29(18)19)20(30)25-13-4-5-13)26-16-7-12(22)10-28(21(16)31)14-3-2-6-32-11-14/h7-10,13-14,23H,2-6,11H2,1H3,(H,25,30)(H,26,27)/t14-/m1/s1
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US Patent
n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424083
PNG
(US10508120, Compound I-538 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccn([C@H]3CCC[C@H]3OC)c2=O)nc2c(cnn12)C(=O)N[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C22H26FN7O3/c1-24-19-10-18(28-20-12(11-25-30(19)20)21(31)27-15-9-13(15)23)26-14-5-4-8-29(22(14)32)16-6-3-7-17(16)33-2/h4-5,8,10-11,13,15-17,24H,3,6-7,9H2,1-2H3,(H,26,28)(H,27,31)/t13-,15+,16-,17+/m0/s1
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US Patent
n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424088
PNG
(US10508120, Compound I-543 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccn(C3CCN(C)CC3)c2=O)nc2c(cnn12)C(=O)NCC1(CO)CC1
Show InChI InChI=1S/C24H32N8O3/c1-25-20-12-19(28-18-4-3-9-31(23(18)35)16-5-10-30(2)11-6-16)29-21-17(13-27-32(20)21)22(34)26-14-24(15-33)7-8-24/h3-4,9,12-13,16,25,33H,5-8,10-11,14-15H2,1-2H3,(H,26,34)(H,28,29)
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n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424098
PNG
(US10508120, Compound I-553 | US10577373, Compound ...)
Show SMILES CNc1cc(nc2c(cnn12)C(=O)N[C@@H]1C[C@@H]1F)-n1cc(N2CCCC2)c2ncccc12
Show InChI InChI=1S/C22H23FN8O/c1-24-18-10-19(28-21-13(11-26-31(18)21)22(32)27-15-9-14(15)23)30-12-17(29-7-2-3-8-29)20-16(30)5-4-6-25-20/h4-6,10-12,14-15,24H,2-3,7-9H2,1H3,(H,27,32)/t14-,15+/m0/s1
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US Patent
n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424111
PNG
(US10508120, Compound I-566 | US10508120, Compound ...)
Show SMILES CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@@H]1O
Show InChI InChI=1S/C22H21FN8O3/c1-24-18-10-17(27-15-5-3-9-30(22(15)34)20-13(23)4-2-8-25-20)29-19-12(11-26-31(18)19)21(33)28-14-6-7-16(14)32/h2-5,8-11,14,16,24,32H,6-7H2,1H3,(H,27,29)(H,28,33)/t14-,16+/m1/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424693
PNG
(US10508120, Compound I-1197 | US10508120, Compound...)
Show SMILES CNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CCCC[C@]1(C)O
Show InChI InChI=1S/C25H33N7O4/c1-25(35)10-4-3-7-19(25)29-23(33)17-15-27-32-21(26-2)14-20(30-22(17)32)28-18-6-5-11-31(24(18)34)16-8-12-36-13-9-16/h5-6,11,14-16,19,26,35H,3-4,7-10,12-13H2,1-2H3,(H,28,30)(H,29,33)/t19-,25-/m0/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424826
PNG
(US10508120, Compound I-1330 | US10577373, Compound...)
Show SMILES CNc1cc(Nc2cccn([C@@H]3CCC[C@H](C3)OC)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC
Show InChI InChI=1S/C25H33N7O4/c1-26-22-13-21(28-19-8-5-11-31(25(19)34)15-6-4-7-16(12-15)35-2)30-23-17(14-27-32(22)23)24(33)29-18-9-10-20(18)36-3/h5,8,11,13-16,18,20,26H,4,6-7,9-10,12H2,1-3H3,(H,28,30)(H,29,33)/t15-,16-,18-,20-/m1/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424777
PNG
(US10508120, Compound I-1281 | US10508120, Compound...)
Show SMILES CNc1cc(nc2c(cnn12)C(=O)N[C@H]1CCC[C@]1(C)O)-c1cn(C2CC2)c2ncccc12
Show InChI InChI=1S/C24H27N7O2/c1-24(33)9-3-6-19(24)29-23(32)16-12-27-31-20(25-2)11-18(28-22(16)31)17-13-30(14-7-8-14)21-15(17)5-4-10-26-21/h4-5,10-14,19,25,33H,3,6-9H2,1-2H3,(H,29,32)/t19-,24-/m0/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424742
PNG
(US10508120, Compound I-1246 | US10508120, Compound...)
Show SMILES CNc1cc(nc2c(cnn12)C(=O)N[C@H]1CC[C@H]1O)-c1cn([C@@H]2CCC[C@H]2OC)c2ncccc12
Show InChI InChI=1S/C25H29N7O3/c1-26-22-11-18(29-24-15(12-28-32(22)24)25(34)30-17-8-9-20(17)33)16-13-31(19-6-3-7-21(19)35-2)23-14(16)5-4-10-27-23/h4-5,10-13,17,19-21,26,33H,3,6-9H2,1-2H3,(H,30,34)/t17-,19+,20+,21+/m0/s1
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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424850
PNG
(US10508120, Compound I-1354 | US10577373, Compound...)
Show SMILES CNc1cc(Nc2cccn([C@@H]3[C@H]4COC[C@@H]34)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC
Show InChI InChI=1S/C23H27N7O4/c1-24-19-8-18(26-16-4-3-7-29(23(16)32)20-13-10-34-11-14(13)20)28-21-12(9-25-30(19)21)22(31)27-15-5-6-17(15)33-2/h3-4,7-9,13-15,17,20,24H,5-6,10-11H2,1-2H3,(H,26,28)(H,27,31)/t13-,14+,15-,17-,20+/m1/s1
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US Patent
n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424119
PNG
(US10508120, Compound I-574 | US10577373, Compound ...)
Show SMILES CNc1cc(nc2c(cnn12)C(=O)NC1CC1)-n1cc(N2CCN(C)CC2)c2ncccc12
Show InChI InChI=1S/C23H27N9O/c1-24-19-12-20(28-22-16(13-26-32(19)22)23(33)27-15-5-6-15)31-14-18(21-17(31)4-3-7-25-21)30-10-8-29(2)9-11-30/h3-4,7,12-15,24H,5-6,8-11H2,1-2H3,(H,27,33)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424127
PNG
(US10508120, Compound I-582 | US10577373, Compound ...)
Show SMILES CNc1cc(nc2c(cnn12)C(=O)NC1CC1)-c1cn(CCN2CCOCC2)c2ncccc12
Show InChI InChI=1S/C24H28N8O2/c1-25-21-13-20(29-23-18(14-27-32(21)23)24(33)28-16-4-5-16)19-15-31(22-17(19)3-2-6-26-22)8-7-30-9-11-34-12-10-30/h2-3,6,13-16,25H,4-5,7-12H2,1H3,(H,28,33)
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424135
PNG
(US10508120, Compound I-590 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccc(n2)N2CCOCC2)nc2c(cnn12)C(=O)N[C@H]1C[C@H]1F
Show InChI InChI=1S/C20H23FN8O2/c1-22-18-10-16(25-15-3-2-4-17(26-15)28-5-7-31-8-6-28)27-19-12(11-23-29(18)19)20(30)24-14-9-13(14)21/h2-4,10-11,13-14,22H,5-9H2,1H3,(H,24,30)(H,25,26,27)/t13-,14+/m1/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424137
PNG
(US10508120, Compound I-592 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccc3ocnc23)nc2c(cnn12)C(=O)N[C@H]1C[C@H]1F
Show InChI InChI=1S/C18H16FN7O2/c1-20-15-6-14(23-11-3-2-4-13-16(11)21-8-28-13)25-17-9(7-22-26(15)17)18(27)24-12-5-10(12)19/h2-4,6-8,10,12,20H,5H2,1H3,(H,23,25)(H,24,27)/t10-,12+/m1/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424140
PNG
(US10508120, Compound I-595 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccn([C@H]3CCOC[C@H]3OC)c2=O)nc2c(cnn12)C(=O)NC1CC1
Show InChI InChI=1S/C22H27N7O4/c1-23-19-10-18(27-20-14(11-24-29(19)20)21(30)25-13-5-6-13)26-15-4-3-8-28(22(15)31)16-7-9-33-12-17(16)32-2/h3-4,8,10-11,13,16-17,23H,5-7,9,12H2,1-2H3,(H,25,30)(H,26,27)/t16-,17+/m0/s1
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424147
PNG
(US10508120, Compound I-602 | US10508120, Compound ...)
Show SMILES CNc1cc(Nc2cccc(n2)[C@H]2CCCOC2)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1O
Show InChI InChI=1S/C22H27N7O3/c1-23-20-10-19(27-18-6-2-5-15(25-18)13-4-3-9-32-12-13)28-21-14(11-24-29(20)21)22(31)26-16-7-8-17(16)30/h2,5-6,10-11,13,16-17,23,30H,3-4,7-9,12H2,1H3,(H,26,31)(H,25,27,28)/t13-,16-,17-/m0/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424149
PNG
(US10508120, Compound I-604 | US10508120, Compound ...)
Show SMILES CNc1cc(Nc2cccc(n2)[C@H]2CCCOC2)nc2c(cnn12)C(=O)N[C@@H]1CC[C@@H]1O
Show InChI InChI=1S/C22H27N7O3/c1-23-20-10-19(27-18-6-2-5-15(25-18)13-4-3-9-32-12-13)28-21-14(11-24-29(20)21)22(31)26-16-7-8-17(16)30/h2,5-6,10-11,13,16-17,23,30H,3-4,7-9,12H2,1H3,(H,26,31)(H,25,27,28)/t13-,16+,17-/m0/s1
PDB

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



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424152
PNG
(US10508120, Compound I-607 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccn(-c3cn(C)nc3F)c2=O)nc2c(cnn12)C(=O)N[C@H]1C[C@H]1F
Show InChI InChI=1S/C20H19F2N9O2/c1-23-16-7-15(27-18-10(8-24-31(16)18)19(32)26-13-6-11(13)21)25-12-4-3-5-30(20(12)33)14-9-29(2)28-17(14)22/h3-5,7-9,11,13,23H,6H2,1-2H3,(H,25,27)(H,26,32)/t11-,13+/m1/s1
PDB

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



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424163
PNG
(US10508120, Compound I-618 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccc(n2)N2CC3(CCO3)C2)nc2c(cnn12)C(=O)NC1CC1
Show InChI InChI=1S/C21H24N8O2/c1-22-18-9-16(27-19-14(10-23-29(18)19)20(30)24-13-5-6-13)25-15-3-2-4-17(26-15)28-11-21(12-28)7-8-31-21/h2-4,9-10,13,22H,5-8,11-12H2,1H3,(H,24,30)(H,25,26,27)
PDB

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



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424762
PNG
(US10508120, Compound I-1266 | US10508120, Compound...)
Show SMILES CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H](O)C1
Show InChI InChI=1S/C21H27N7O3/c1-12(2)27-8-4-5-16(21(27)31)25-17-10-18(22-3)28-19(26-17)15(11-23-28)20(30)24-13-6-7-14(29)9-13/h4-5,8,10-14,22,29H,6-7,9H2,1-3H3,(H,24,30)(H,25,26)/t13-,14+/m1/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM436153
PNG
(US10577373, Compound I-1362)
Show SMILES CNc1cc(nc2c(cnn12)C(=O)N[C@@H]1C[C@@H]1F)-c1cn([C@H]2CCN(CCF)C2)c2cnccc12
Show InChI InChI=1S/C24H26F2N8O/c1-27-22-9-19(30-23-16(10-29-34(22)23)24(35)31-20-8-18(20)26)17-13-33(21-11-28-5-2-15(17)21)14-3-6-32(12-14)7-4-25/h2,5,9-11,13-14,18,20,27H,3-4,6-8,12H2,1H3,(H,31,35)/t14-,18-,20+/m0/s1
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n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424866
PNG
(US10508120, Compound I-1370 | US10577373, Compound...)
Show SMILES CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@]1(C)O
Show InChI InChI=1S/C21H27N7O3/c1-12(2)27-9-5-6-14(20(27)30)24-16-10-17(22-4)28-18(26-16)13(11-23-28)19(29)25-15-7-8-21(15,3)31/h5-6,9-12,15,22,31H,7-8H2,1-4H3,(H,24,26)(H,25,29)/t15-,21+/m1/s1
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424640
PNG
(US10508120, Compound I-1095 | US10508120, Compound...)
Show SMILES CNc1cc(Nc2cccn([C@@H]3CCCN(CCF)C3)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC
Show InChI InChI=1S/C25H33FN8O3/c1-27-22-13-21(31-23-17(14-28-34(22)23)24(35)30-18-7-8-20(18)37-2)29-19-6-4-11-33(25(19)36)16-5-3-10-32(15-16)12-9-26/h4,6,11,13-14,16,18,20,27H,3,5,7-10,12,15H2,1-2H3,(H,29,31)(H,30,35)/t16-,18-,20-/m1/s1
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424880
PNG
(US10508120, Compound I-1384 | US10577373, Compound...)
Show SMILES CNc1cc(Nc2cccn([C@H]3CC[C@@H]3O)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC
Show InChI InChI=1S/C22H27N7O4/c1-23-19-10-18(25-14-4-3-9-28(22(14)32)15-6-7-16(15)30)27-20-12(11-24-29(19)20)21(31)26-13-5-8-17(13)33-2/h3-4,9-11,13,15-17,23,30H,5-8H2,1-2H3,(H,25,27)(H,26,31)/t13-,15+,16+,17-/m1/s1
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n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424639
PNG
(US10508120, Compound I-1094 | US10508120, Compound...)
Show SMILES CNc1cc(Nc2cccn([C@H]3CC[C@@H]3O)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1OC
Show InChI InChI=1S/C22H27N7O4/c1-23-19-10-18(25-14-4-3-9-28(22(14)32)15-6-7-16(15)30)27-20-12(11-24-29(19)20)21(31)26-13-5-8-17(13)33-2/h3-4,9-11,13,15-17,23,30H,5-8H2,1-2H3,(H,25,27)(H,26,31)/t13-,15-,16-,17-/m0/s1
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n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM436178
PNG
(US10577373, Compound I-1387)
Show SMILES CNc1cc(nc2c(cnn12)C(=O)N[C@H]1CC[C@H]1O)C1=CN(C(C)C)C2N=CC(F)=CC12
Show InChI InChI=1S/C22H26FN7O2/c1-11(2)29-10-15(13-6-12(23)8-25-20(13)29)17-7-19(24-3)30-21(27-17)14(9-26-30)22(32)28-16-4-5-18(16)31/h6-11,13,16,18,20,24,31H,4-5H2,1-3H3,(H,28,32)/t13?,16-,18+,20?/m0/s1
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424608
PNG
(US10508120, Compound I-1063 | US10508120, Compound...)
Show SMILES CNc1cc(Nc2cccn([C@H]3CCC[C@H](O)C3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1OC
Show InChI InChI=1S/C24H31N7O4/c1-25-21-12-20(27-18-7-4-10-30(24(18)34)14-5-3-6-15(32)11-14)29-22-16(13-26-31(21)22)23(33)28-17-8-9-19(17)35-2/h4,7,10,12-15,17,19,25,32H,3,5-6,8-9,11H2,1-2H3,(H,27,29)(H,28,33)/t14-,15-,17-,19-/m0/s1
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n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424893
PNG
(US10508120, Compound I-1397 | US10577373, Compound...)
Show SMILES CNc1cc(Nc2cccn(-c3ncco3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1OC
Show InChI InChI=1S/C21H22N8O4/c1-22-17-10-16(25-14-4-3-8-28(20(14)31)21-23-7-9-33-21)27-18-12(11-24-29(17)18)19(30)26-13-5-6-15(13)32-2/h3-4,7-11,13,15,22H,5-6H2,1-2H3,(H,25,27)(H,26,30)/t13-,15-/m0/s1
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n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424895
PNG
(US10508120, Compound I-1399 | US10577373, Compound...)
Show SMILES CNc1cc(Nc2cccn([C@@H]3C[C@H]3F)c2=O)nc2c(cnn12)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C21H26FN7O3/c1-21(2,11-30)10-24-19(31)12-9-25-29-17(23-3)8-16(27-18(12)29)26-14-5-4-6-28(20(14)32)15-7-13(15)22/h4-6,8-9,13,15,23,30H,7,10-11H2,1-3H3,(H,24,31)(H,26,27)/t13-,15-/m1/s1
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424605
PNG
(US10508120, Compound I-1060 | US10508120, Compound...)
Show SMILES CNc1cc(Nc2cccn([C@H]3C[C@@H]3F)c2=O)nc2c(cnn12)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C21H26FN7O3/c1-21(2,11-30)10-24-19(31)12-9-25-29-17(23-3)8-16(27-18(12)29)26-14-5-4-6-28(20(14)32)15-7-13(15)22/h4-6,8-9,13,15,23,30H,7,10-11H2,1-3H3,(H,24,31)(H,26,27)/t13-,15-/m0/s1
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Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424173
PNG
(US10508120, Compound I-628 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccn(C3CCN(CCC#N)CC3)c2=O)nc2c(cnn12)C(=O)N[C@H]1C[C@H]1F
Show InChI InChI=1S/C24H28FN9O2/c1-27-21-13-20(31-22-16(14-28-34(21)22)23(35)30-19-12-17(19)25)29-18-4-2-9-33(24(18)36)15-5-10-32(11-6-15)8-3-7-26/h2,4,9,13-15,17,19,27H,3,5-6,8,10-12H2,1H3,(H,29,31)(H,30,35)/t17-,19+/m1/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424174
PNG
(US10508120, Compound I-629 | US10577373, Compound ...)
Show SMILES CNc1cc(nc2c(cnn12)C(=O)NC1CC2(COC2)C1)-c1cn(C(C)C)c2ncccc12
Show InChI InChI=1S/C24H27N7O2/c1-14(2)30-11-18(16-5-4-6-26-21(16)30)19-7-20(25-3)31-22(29-19)17(10-27-31)23(32)28-15-8-24(9-15)12-33-13-24/h4-7,10-11,14-15,25H,8-9,12-13H2,1-3H3,(H,28,32)
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n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424195
PNG
(US10508120, Compound I-650 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(cnn12)C(=O)N[C@@H]1[C@H]2COC[C@@H]12
Show InChI InChI=1S/C23H27N7O4/c1-24-19-8-18(26-17-5-2-6-29(23(17)32)13-4-3-7-33-10-13)27-21-14(9-25-30(19)21)22(31)28-20-15-11-34-12-16(15)20/h2,5-6,8-9,13,15-16,20,24H,3-4,7,10-12H2,1H3,(H,26,27)(H,28,31)/t13-,15-,16+,20+/m1/s1
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424198
PNG
(US10508120, Compound I-653 | US10508120, Compound ...)
Show SMILES CNc1cc(nc2c(cnn12)C(=O)N[C@H]1C[C@@H]1O)-c1cn(C(C)C)c2ncccc12
Show InChI InChI=1S/C21H23N7O2/c1-11(2)27-10-14(12-5-4-6-23-19(12)27)15-8-18(22-3)28-20(25-15)13(9-24-28)21(30)26-16-7-17(16)29/h4-6,8-11,16-17,22,29H,7H2,1-3H3,(H,26,30)/t16-,17-/m0/s1
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Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424199
PNG
(US10508120, Compound I-654 | US10508120, Compound ...)
Show SMILES CNc1cc(Nc2cccn(-c3nc(C)co3)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@@H]1O
Show InChI InChI=1S/C21H22N8O4/c1-11-10-33-21(24-11)28-7-3-4-14(20(28)32)25-16-8-17(22-2)29-18(27-16)12(9-23-29)19(31)26-13-5-6-15(13)30/h3-4,7-10,13,15,22,30H,5-6H2,1-2H3,(H,25,27)(H,26,31)/t13-,15+/m1/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424210
PNG
(US10508120, Compound I-665 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccc(n2)[C@@H]2CCCOC2)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1O
Show InChI InChI=1S/C22H27N7O3/c1-23-20-10-19(27-18-6-2-5-15(25-18)13-4-3-9-32-12-13)28-21-14(11-24-29(20)21)22(31)26-16-7-8-17(16)30/h2,5-6,10-11,13,16-17,23,30H,3-4,7-9,12H2,1H3,(H,26,31)(H,25,27,28)/t13-,16-,17-/m1/s1
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Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424226
PNG
(US10508120, Compound I-681 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(cnn12)C(=O)N[C@H]1C[C@H]1F
Show InChI InChI=1S/C21H19FN8O2/c1-23-18-10-16(26-14-5-4-8-29(21(14)32)17-6-2-3-7-24-17)28-19-12(11-25-30(18)19)20(31)27-15-9-13(15)22/h2-8,10-11,13,15,23H,9H2,1H3,(H,26,28)(H,27,31)/t13-,15+/m1/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424227
PNG
(US10508120, Compound I-682 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(cnn12)C(=O)NCC(C)CO
Show InChI InChI=1S/C22H24N8O3/c1-14(13-31)11-25-21(32)15-12-26-30-19(23-2)10-17(28-20(15)30)27-16-6-5-9-29(22(16)33)18-7-3-4-8-24-18/h3-10,12,14,23,31H,11,13H2,1-2H3,(H,25,32)(H,27,28)
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n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424237
PNG
(US10508120, Compound I-692 | US10508120, Compound ...)
Show SMILES CNc1cc(Nc2cccc(n2)[C@H]2CCCOC2)nc2c(cnn12)C(=O)N[C@H]1COC[C@H]1O
Show InChI InChI=1S/C22H27N7O4/c1-23-20-8-19(27-18-6-2-5-15(25-18)13-4-3-7-32-10-13)28-21-14(9-24-29(20)21)22(31)26-16-11-33-12-17(16)30/h2,5-6,8-9,13,16-17,23,30H,3-4,7,10-12H2,1H3,(H,26,31)(H,25,27,28)/t13-,16-,17+/m0/s1
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n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424252
PNG
(US10508120, Compound I-707 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccn(-c3nc(C)co3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@H]1O
Show InChI InChI=1S/C21H22N8O4/c1-11-10-33-21(24-11)28-7-3-4-14(20(28)32)25-16-8-17(22-2)29-18(27-16)12(9-23-29)19(31)26-13-5-6-15(13)30/h3-4,7-10,13,15,22,30H,5-6H2,1-2H3,(H,25,27)(H,26,31)/t13-,15+/m0/s1
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US Patent
n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424255
PNG
(US10508120, Compound I-710 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccnc2OC)nc2c(cnn12)C(=O)NO
Show InChI InChI=1S/C14H15N7O3/c1-15-11-6-10(18-9-4-3-5-16-14(9)24-2)19-12-8(13(22)20-23)7-17-21(11)12/h3-7,15,23H,1-2H3,(H,18,19)(H,20,22)
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US Patent
n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM423472
PNG
(US10508120, Compound I-3 | US10577373, Compound I-...)
Show SMILES CNc1cc(Nc2cc(F)ccc2F)nc2c(cnn12)C(=O)NC1CC1
Show InChI InChI=1S/C17H16F2N6O/c1-20-15-7-14(23-13-6-9(18)2-5-12(13)19)24-16-11(8-21-25(15)16)17(26)22-10-3-4-10/h2,5-8,10,20H,3-4H2,1H3,(H,22,26)(H,23,24)
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US Patent
n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424243
PNG
(US10508120, Compound I-698 | US10508120, Compound ...)
Show SMILES CNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1O
Show InChI InChI=1S/C22H27N7O4/c1-23-19-10-18(25-16-5-2-8-28(22(16)32)13-4-3-9-33-12-13)27-20-14(11-24-29(19)20)21(31)26-15-6-7-17(15)30/h2,5,8,10-11,13,15,17,23,30H,3-4,6-7,9,12H2,1H3,(H,25,27)(H,26,31)/t13-,15+,17+/m1/s1
PDB

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US Patent
n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424281
PNG
(US10508120, Compound I-736 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccn(-c3nc(C)co3)c2=O)nc2c(cnn12)C(=O)NC[C@H](C)CO
Show InChI InChI=1S/C21H24N8O4/c1-12(10-30)8-23-19(31)14-9-24-29-17(22-3)7-16(27-18(14)29)26-15-5-4-6-28(20(15)32)21-25-13(2)11-33-21/h4-7,9,11-12,22,30H,8,10H2,1-3H3,(H,23,31)(H,26,27)/t12-/m0/s1
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US Patent
n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424247
PNG
(US10508120, Compound I-702 | US10508120, Compound ...)
Show SMILES CNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@H](O)C1
Show InChI InChI=1S/C23H29N7O4/c1-24-20-11-19(27-18-5-2-8-29(23(18)33)15-4-3-9-34-13-15)28-21-17(12-25-30(20)21)22(32)26-14-6-7-16(31)10-14/h2,5,8,11-12,14-16,24,31H,3-4,6-7,9-10,13H2,1H3,(H,26,32)(H,27,28)/t14-,15+,16-/m0/s1
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US Patent
n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424284
PNG
(US10508120, Compound I-739 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@@H](O)C1
Show InChI InChI=1S/C23H29N7O4/c1-24-20-11-19(27-18-5-2-8-29(23(18)33)15-4-3-9-34-13-15)28-21-17(12-25-30(20)21)22(32)26-14-6-7-16(31)10-14/h2,5,8,11-12,14-16,24,31H,3-4,6-7,9-10,13H2,1H3,(H,26,32)(H,27,28)/t14-,15-,16-/m1/s1
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US Patent
n/an/an/a 0.600n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM435584
PNG
(US10577373, Compound I-744)
Show SMILES CNc1cc(Nc2cccc(n2)N2CCOC3(CCOC3)C2)nc2c(cnn12)C(=O)NC1CC1
Show InChI InChI=1S/C23H28N8O3/c1-24-20-11-18(29-21-16(12-25-31(20)21)22(32)26-15-5-6-15)27-17-3-2-4-19(28-17)30-8-10-34-23(13-30)7-9-33-14-23/h2-4,11-12,15,24H,5-10,13-14H2,1H3,(H,26,32)(H,27,28,29)
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US Patent
n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424295
PNG
(US10508120, Compound I-750 | US10577373, Compound ...)
Show SMILES CNc1cc(Nc2cccc3ocnc23)nc2c(cnn12)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C20H23N7O3/c1-20(2,10-28)9-22-19(29)12-8-24-27-16(21-3)7-15(26-18(12)27)25-13-5-4-6-14-17(13)23-11-30-14/h4-8,11,21,28H,9-10H2,1-3H3,(H,22,29)(H,25,26)
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US Patent
n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
TYK2 JH2 Domain


(Homo sapiens (Human))
BDBM424300
PNG
(US10508120, Compound I-755 | US10508120, Compound ...)
Show SMILES CNc1cc(Nc2cccc3ocnc23)nc2c(cnn12)C(=O)N[C@H]1COC[C@H]1O
Show InChI InChI=1S/C19H19N7O4/c1-20-16-5-15(23-11-3-2-4-14-17(11)21-9-30-14)25-18-10(6-22-26(16)18)19(28)24-12-7-29-8-13(12)27/h2-6,9,12-13,20,27H,7-8H2,1H3,(H,23,25)(H,24,28)/t12-,13+/m0/s1
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US Patent
n/an/an/a<0.200n/an/an/an/an/a



Nimbus Lakshimi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10577373 (2020)


BindingDB Entry DOI: 10.7270/Q2CR5WR4
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%