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Patent code US10793574

Compile Data Set for Download or QSAR

Found 218 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399560
PNG
(US10323036, Compound I-3 | US10793574, Compound I-...)
Show SMILES COc1c(Nc2cc(Nc3ccc(C)cn3)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C22H22N10O2/c1-12-8-9-16(23-11-12)25-17-10-15(18-21(26-17)28-31(2)22(18)33)24-14-7-5-6-13(19(14)34-4)20-27-30-32(3)29-20/h5-11H,1-4H3,(H3,23,24,25,26,28)
PDB

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UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399571
PNG
(US10323036, Compound I-14 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C21H22N8O3/c1-28-10-22-18(26-28)12-5-4-6-13(17(12)32-3)23-14-9-15(25-20(30)11-7-8-11)24-19-16(14)21(31)29(2)27-19/h4-6,9-11H,7-8H2,1-3H3,(H3,23,24,25,27,30)
PDB

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PC sid
UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399573
PNG
(US10323036, Compound I-16 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3ccc(C)cn3)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C23H23N9O2/c1-13-8-9-17(24-11-13)27-18-10-16(19-22(28-18)30-32(3)23(19)33)26-15-7-5-6-14(20(15)34-4)21-25-12-31(2)29-21/h5-12H,1-4H3,(H3,24,26,27,28,30)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399574
PNG
(US10323036, Compound I-17 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3ccccn3)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C22H21N9O2/c1-30-12-24-20(28-30)13-7-6-8-14(19(13)33-3)25-15-11-17(26-16-9-4-5-10-23-16)27-21-18(15)22(32)31(2)29-21/h4-12H,1-3H3,(H3,23,25,26,27,29)
PDB

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PC sid
UniChem
US Patent
n/an/an/a<0.100n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399582
PNG
(US10323036, Compound I-25 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3ccc(cn3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C23H20N10O2/c1-32-12-26-21(30-32)14-5-4-6-15(20(14)35-3)27-16-9-18(28-17-8-7-13(10-24)11-25-17)29-22-19(16)23(34)33(2)31-22/h4-9,11-12H,1-3H3,(H3,25,27,28,29,31)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399585
PNG
(US10323036, Compound I-29 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3cc(ncn3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C21H18N12O2/c1-32-21(34)17-14(8-16(27-20(17)29-32)26-15-7-11(9-22)23-10-24-15)25-13-6-4-5-12(18(13)35-3)19-28-31-33(2)30-19/h4-8,10H,1-3H3,(H3,23,24,25,26,27,29)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399586
PNG
(US10323036, Compound I-30 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3cccc(n3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C23H20N10O2/c1-32-12-25-21(30-32)14-7-5-8-15(20(14)35-3)27-16-10-18(28-17-9-4-6-13(11-24)26-17)29-22-19(16)23(34)33(2)31-22/h4-10,12H,1-3H3,(H3,26,27,28,29,31)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399598
PNG
(US10323036, Compound I-42 | US10793574, Compound I...)
Show SMILES COc1cc(Cl)ccc1Nc1cc(Nc2cc(C)ccn2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H19ClN6O2/c1-11-6-7-22-16(8-11)24-17-10-14(18-19(25-17)26-27(2)20(18)28)23-13-5-4-12(21)9-15(13)29-3/h4-10H,1-3H3,(H3,22,23,24,25,26)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399604
PNG
(US10323036, Compound I-48 | US10793574, Compound I...)
Show SMILES COc1c(F)cccc1Nc1cc(NC(=O)C2CC2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C18H18FN5O3/c1-24-18(26)14-12(20-11-5-3-4-10(19)15(11)27-2)8-13(21-16(14)23-24)22-17(25)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H3,20,21,22,23,25)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399606
PNG
(US10323036, Compound I-50 | US10793574, Compound I...)
Show SMILES COc1cc(ccc1Nc1cc(NC(=O)C2CC2)nc2[nH]n(C)c(=O)c12)C1CC1
Show InChI InChI=1S/C21H23N5O3/c1-26-21(28)18-15(10-17(23-19(18)25-26)24-20(27)12-5-6-12)22-14-8-7-13(11-3-4-11)9-16(14)29-2/h7-12H,3-6H2,1-2H3,(H3,22,23,24,25,27)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399612
PNG
(US10323036, Compound I-56 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-n1cccn1
Show InChI InChI=1S/C21H21N7O3/c1-27-21(30)17-14(11-16(24-19(17)26-27)25-20(29)12-7-8-12)23-13-5-3-6-15(18(13)31-2)28-10-4-9-22-28/h3-6,9-12H,7-8H2,1-2H3,(H3,23,24,25,26,29)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399621
PNG
(US10323036, Compound I-65 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3cccc(n3)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C24H24N10O2/c1-33-24(35)20-17(25-16-8-4-6-14(21(16)36-3)22-29-32-34(2)31-22)12-19(28-23(20)30-33)27-18-9-5-7-15(26-18)13-10-11-13/h4-9,12-13H,10-11H2,1-3H3,(H3,25,26,27,28,30)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399623
PNG
(US10323036, Compound I-67 | US10793574, Compound I...)
Show SMILES COCc1ccc(Nc2cc(Nc3cccc(n3)C(F)(F)F)nc3[nH]n(C)c(=O)c23)c(OC)c1
Show InChI InChI=1S/C22H21F3N6O3/c1-31-21(32)19-14(26-13-8-7-12(11-33-2)9-15(13)34-3)10-18(29-20(19)30-31)28-17-6-4-5-16(27-17)22(23,24)25/h4-10H,11H2,1-3H3,(H3,26,27,28,29,30)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399624
PNG
(US10323036, Compound I-68 | US10793574, Compound I...)
Show SMILES COCc1ccc(Nc2cc(Nc3cccc(n3)C#N)nc3[nH]n(C)c(=O)c23)c(OC)c1
Show InChI InChI=1S/C22H21N7O3/c1-29-22(30)20-16(25-15-8-7-13(12-31-2)9-17(15)32-3)10-19(27-21(20)28-29)26-18-6-4-5-14(11-23)24-18/h4-10H,12H2,1-3H3,(H3,24,25,26,27,28)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399632
PNG
(US10323036, Compound I-76 | US10793574, Compound I...)
Show SMILES COCc1ccnc(Nc2cc(Nc3cccc(F)c3OC)c3c(n2)[nH]n(C)c3=O)c1
Show InChI InChI=1S/C21H21FN6O3/c1-28-21(29)18-15(24-14-6-4-5-13(22)19(14)31-3)10-17(26-20(18)27-28)25-16-9-12(11-30-2)7-8-23-16/h4-10H,11H2,1-3H3,(H3,23,24,25,26,27)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399634
PNG
(US10323036, Compound I-78 | US10793574, Compound I...)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2ccn(C)n2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C18H18FN7O2/c1-25-8-7-13(23-25)21-14-9-12(15-17(22-14)24-26(2)18(15)27)20-11-6-4-5-10(19)16(11)28-3/h4-9H,1-3H3,(H3,20,21,22,23,24)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399641
PNG
(US10323036, Compound I-85 | US10793574, Compound I...)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2cncc(n2)C#N)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C19H15FN8O2/c1-28-19(29)16-13(24-12-5-3-4-11(20)17(12)30-2)6-14(26-18(16)27-28)25-15-9-22-8-10(7-21)23-15/h3-6,8-9H,1-2H3,(H3,23,24,25,26,27)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399678
PNG
(US10323036, Compound I-122 | US10793574, Compound ...)
Show SMILES COc1c(Nc2cc(Nc3cccc(n3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1ccn(C)n1
Show InChI InChI=1S/C24H21N9O2/c1-32-11-10-16(30-32)15-7-5-8-17(22(15)35-3)27-18-12-20(28-19-9-4-6-14(13-25)26-19)29-23-21(18)24(34)33(2)31-23/h4-12H,1-3H3,(H3,26,27,28,29,31)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399682
PNG
(US10323036, Compound I-126 | US10793574, Compound ...)
Show SMILES COCc1ccnc(Nc2cc(Nc3cccc(C(N)=O)c3OC)c3c(n2)[nH]n(C)c3=O)c1
Show InChI InChI=1S/C22H23N7O4/c1-29-22(31)18-15(25-14-6-4-5-13(20(23)30)19(14)33-3)10-17(27-21(18)28-29)26-16-9-12(11-32-2)7-8-24-16/h4-10H,11H2,1-3H3,(H2,23,30)(H3,24,25,26,27,28)
PDB

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PC sid
UniChem
US Patent
n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399683
PNG
(US10323036, Compound I-127 | US10793574, Compound ...)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)ccc(F)c1F
Show InChI InChI=1S/C18H17F2N5O3/c1-25-18(27)13-11(21-10-6-5-9(19)14(20)15(10)28-2)7-12(22-16(13)24-25)23-17(26)8-3-4-8/h5-8H,3-4H2,1-2H3,(H3,21,22,23,24,26)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399696
PNG
(US10323036, Compound I-140 | US10793574, Compound ...)
Show SMILES COC1CN(C1)c1cccc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)n1
Show InChI InChI=1S/C23H25N7O4S/c1-29-23(31)21-16(24-15-7-4-5-8-17(15)35(3,32)33)11-19(27-22(21)28-29)25-18-9-6-10-20(26-18)30-12-14(13-30)34-2/h4-11,14H,12-13H2,1-3H3,(H3,24,25,26,27,28)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399699
PNG
(US10323036, Compound I-143 | US10793574, Compound ...)
Show SMILES Cn1[nH]c2nc(Nc3ccc(cn3)C3CC3)cc(Nc3ccccc3S(C)(=O)=O)c2c1=O
Show InChI InChI=1S/C22H22N6O3S/c1-28-22(29)20-16(24-15-5-3-4-6-17(15)32(2,30)31)11-19(26-21(20)27-28)25-18-10-9-14(12-23-18)13-7-8-13/h3-6,9-13H,7-8H2,1-2H3,(H3,23,24,25,26,27)
PDB

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US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399702
PNG
(US10323036, Compound I-146 | US10793574, Compound ...)
Show SMILES COc1c(Cl)cccc1Nc1cc(Nc2cnc(C3CC3)c(n2)C#N)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C22H19ClN8O2/c1-31-22(32)18-14(26-13-5-3-4-12(23)20(13)33-2)8-16(29-21(18)30-31)28-17-10-25-19(11-6-7-11)15(9-24)27-17/h3-5,8,10-11H,6-7H2,1-2H3,(H3,26,27,28,29,30)
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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399703
PNG
(US10323036, Compound I-147 | US10793574, Compound ...)
Show SMILES CCc1ncc(Nc2cc(Nc3cccc(Cl)c3OC)c3c(n2)[nH]n(C)c3=O)nc1C#N
Show InChI InChI=1S/C21H19ClN8O2/c1-4-12-15(9-23)26-17(10-24-12)27-16-8-14(18-20(28-16)29-30(2)21(18)31)25-13-7-5-6-11(22)19(13)32-3/h5-8,10H,4H2,1-3H3,(H3,25,26,27,28,29)
PDB

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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399733
PNG
(US10323036, Compound I-220 | US10793574, Compound ...)
Show SMILES COC1CN(C1)c1ccc(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)c(c1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C23H29N7O5S/c1-28-23(32)20-17(10-19(25-21(20)27-28)26-22(31)13-5-6-13)24-16-8-7-14(30-11-15(12-30)35-3)9-18(16)29(2)36(4,33)34/h7-10,13,15H,5-6,11-12H2,1-4H3,(H3,24,25,26,27,31)
PDB

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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399734
PNG
(US10323036, Compound I-221 | US10793574, Compound ...)
Show SMILES COc1c(Cl)cccc1Nc1cc(Nc2cc3COCCn3n2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H20ClN7O3/c1-27-20(29)17-14(22-13-5-3-4-12(21)18(13)30-2)9-15(24-19(17)26-27)23-16-8-11-10-31-7-6-28(11)25-16/h3-5,8-9H,6-7,10H2,1-2H3,(H3,22,23,24,25,26)
PDB

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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399738
PNG
(US10323036, Compound I-226 | US10793574, Compound ...)
Show SMILES CN(c1ccccc1Nc1cc(Nc2cc3CCOc3cn2)nc2[nH]n(C)c(=O)c12)S(C)(=O)=O
Show InChI InChI=1S/C22H23N7O4S/c1-28-22(30)20-15(24-14-6-4-5-7-16(14)29(2)34(3,31)32)11-19(26-21(20)27-28)25-18-10-13-8-9-33-17(13)12-23-18/h4-7,10-12H,8-9H2,1-3H3,(H3,23,24,25,26,27)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399743
PNG
(US10323036, Compound I-231 | US10793574, Compound ...)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1C(O)=O
Show InChI InChI=1S/C19H19N5O5/c1-24-18(26)14-12(20-11-5-3-4-10(19(27)28)15(11)29-2)8-13(21-16(14)23-24)22-17(25)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,27,28)(H3,20,21,22,23,25)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399745
PNG
(US10323036, Compound I-234 | US10793574, Compound ...)
Show SMILES CN(c1cc(ccc1Nc1cc(NC(=O)C2CC2)nc2[nH]n(C)c(=O)c12)C1CCOCC1)S(C)(=O)=O
Show InChI InChI=1S/C24H30N6O5S/c1-29-24(32)21-18(13-20(26-22(21)28-29)27-23(31)15-4-5-15)25-17-7-6-16(14-8-10-35-11-9-14)12-19(17)30(2)36(3,33)34/h6-7,12-15H,4-5,8-11H2,1-3H3,(H3,25,26,27,28,31)
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399746
PNG
(US10323036, Compound I-235 | US10793574, Compound ...)
Show SMILES CN(c1cc(ccc1Nc1cc(NC(=O)C2CC2)nc2[nH]n(C)c(=O)c12)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C20H21F3N6O4S/c1-28-19(31)16-13(9-15(25-17(16)27-28)26-18(30)10-4-5-10)24-12-7-6-11(20(21,22)23)8-14(12)29(2)34(3,32)33/h6-10H,4-5H2,1-3H3,(H3,24,25,26,27,30)
PDB

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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399749
PNG
(US10323036, Compound I-238 | US10793574, Compound ...)
Show SMILES Cn1[nH]c2nc(NC(=O)[C@H]3CC3(F)F)cc(Nc3ccc(cc3S(C)(=O)=O)C3CC3)c2c1=O
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n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399752
PNG
(US10323036, Compound I-241 | US10793574, Compound ...)
Show SMILES COc1c(Nc2cc(N)nc3[nH]n(C)c(=O)c23)cccc1C(O)=O
Show InChI InChI=1S/C15H15N5O4/c1-20-14(21)11-9(6-10(16)18-13(11)19-20)17-8-5-3-4-7(15(22)23)12(8)24-2/h3-6H,1-2H3,(H,22,23)(H4,16,17,18,19)
PDB

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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399762
PNG
(US10323036, Compound VIII-10 | US10793574, Compoun...)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)ncc2-n2cc(CO)cn2)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C23H24N8O3/c1-30-13-25-22(29-30)16-4-3-5-17(21(16)34-2)27-18-8-20(28-23(33)15-6-7-15)24-10-19(18)31-11-14(12-32)9-26-31/h3-5,8-11,13,15,32H,6-7,12H2,1-2H3,(H2,24,27,28,33)
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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399763
PNG
(US10323036, Compound VIII-11 | US10793574, Compoun...)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)ncc2-c2cccnn2)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C23H22N8O2/c1-31-13-25-22(30-31)15-5-3-6-18(21(15)33-2)27-19-11-20(28-23(32)14-8-9-14)24-12-16(19)17-7-4-10-26-29-17/h3-7,10-14H,8-9H2,1-2H3,(H2,24,27,28,32)
PDB

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n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399774
PNG
(US10323036, Compound XVI-5 | US10793574, Compound ...)
Show SMILES CCn1nc(-c2cccc(-c3nnn(C)n3)c2OC)c2cc(NC(=O)C3CC3)ncc12
Show InChI InChI=1S/C21H22N8O2/c1-4-29-16-11-22-17(23-21(30)12-8-9-12)10-15(16)18(25-29)13-6-5-7-14(19(13)31-3)20-24-27-28(2)26-20/h5-7,10-12H,4,8-9H2,1-3H3,(H,22,23,30)
PDB

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n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399562
PNG
(US10323036, Compound I-5 | US10793574, Compound I-...)
Show SMILES COc1c(Nc2cc(Nc3cc(C)ccn3)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C22H22N10O2/c1-12-8-9-23-16(10-12)25-17-11-15(18-21(26-17)28-31(2)22(18)33)24-14-7-5-6-13(19(14)34-4)20-27-30-32(3)29-20/h5-11H,1-4H3,(H3,23,24,25,26,28)
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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399563
PNG
(US10323036, Compound I-6 | US10793574, Compound I-...)
Show SMILES COc1c(Nc2cc(Nc3cc(CO)ccn3)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C22H22N10O3/c1-31-22(34)18-15(10-17(26-21(18)28-31)25-16-9-12(11-33)7-8-23-16)24-14-6-4-5-13(19(14)35-3)20-27-30-32(2)29-20/h4-10,33H,11H2,1-3H3,(H3,23,24,25,26,28)
PDB

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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399569
PNG
(US10323036, Compound I-12 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3ccc(cn3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C22H19N11O2/c1-32-22(34)18-15(9-17(27-21(18)29-32)26-16-8-7-12(10-23)11-24-16)25-14-6-4-5-13(19(14)35-3)20-28-31-33(2)30-20/h4-9,11H,1-3H3,(H3,24,25,26,27,29)
PDB

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



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399588
PNG
(US10323036, Compound I-32 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3cc(ccn3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C22H19N11O2/c1-32-22(34)18-15(10-17(27-21(18)29-32)26-16-9-12(11-23)7-8-24-16)25-14-6-4-5-13(19(14)35-3)20-28-31-33(2)30-20/h4-10H,1-3H3,(H3,24,25,26,27,29)
PDB

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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399591
PNG
(US10323036, Compound I-35 | US10793574, Compound I...)
Show SMILES COCc1ccnc(Nc2cc(Nc3cccc(C#N)c3OC)c3c(n2)[nH]n(C)c3=O)c1
Show InChI InChI=1S/C22H21N7O3/c1-29-22(30)19-16(25-15-6-4-5-14(11-23)20(15)32-3)10-18(27-21(19)28-29)26-17-9-13(12-31-2)7-8-24-17/h4-10H,12H2,1-3H3,(H3,24,25,26,27,28)
PDB

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n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399613
PNG
(US10323036, Compound I-57 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-c1ccn(C)n1
Show InChI InChI=1S/C22H23N7O3/c1-28-10-9-14(26-28)13-5-4-6-15(19(13)32-3)23-16-11-17(25-21(30)12-7-8-12)24-20-18(16)22(31)29(2)27-20/h4-6,9-12H,7-8H2,1-3H3,(H3,23,24,25,27,30)
PDB

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



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399620
PNG
(US10323036, Compound I-64 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3cncc(n3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C21H18N12O2/c1-32-21(34)17-14(7-15(27-20(17)29-32)26-16-10-23-9-11(8-22)24-16)25-13-6-4-5-12(18(13)35-3)19-28-31-33(2)30-19/h4-7,9-10H,1-3H3,(H3,24,25,26,27,29)
PDB

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



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399625
PNG
(US10323036, Compound I-69 | US10793574, Compound I...)
Show SMILES COc1c(Br)cccc1Nc1cc(NC(=O)C2CC2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C18H18BrN5O3/c1-24-18(26)14-12(20-11-5-3-4-10(19)15(11)27-2)8-13(21-16(14)23-24)22-17(25)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H3,20,21,22,23,25)
PDB

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n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399626
PNG
(US10323036, Compound I-70 | US10793574, Compound I...)
Show SMILES COc1cc(ccc1Nc1cc(NC(=O)C2CC2)nc2[nH]n(C)c(=O)c12)C(=O)N1CCCC1
Show InChI InChI=1S/C23H26N6O4/c1-28-23(32)19-16(12-18(25-20(19)27-28)26-21(30)13-5-6-13)24-15-8-7-14(11-17(15)33-2)22(31)29-9-3-4-10-29/h7-8,11-13H,3-6,9-10H2,1-2H3,(H3,24,25,26,27,30)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399630
PNG
(US10323036, Compound I-74 | US10793574, Compound I...)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2cc(C)nc(C)n2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H20FN7O2/c1-10-8-15(23-11(2)22-10)25-16-9-14(17-19(26-16)27-28(3)20(17)29)24-13-7-5-6-12(21)18(13)30-4/h5-9H,1-4H3,(H3,22,23,24,25,26,27)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399636
PNG
(US10323036, Compound I-80 | US10793574, Compound I...)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2ccccn2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C19H17FN6O2/c1-26-19(27)16-13(22-12-7-5-6-11(20)17(12)28-2)10-15(24-18(16)25-26)23-14-8-3-4-9-21-14/h3-10H,1-2H3,(H3,21,22,23,24,25)
PDB

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PC sid
UniChem
US Patent
n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399642
PNG
(US10323036, Compound I-86 | US10793574, Compound I...)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2cccc(n2)C(F)(F)F)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H16F4N6O2/c1-30-19(31)16-12(25-11-6-3-5-10(21)17(11)32-2)9-15(28-18(16)29-30)27-14-8-4-7-13(26-14)20(22,23)24/h3-9H,1-2H3,(H3,25,26,27,28,29)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399645
PNG
(US10323036, Compound I-89 | US10793574, Compound I...)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2ccc(cn2)N2CCOCC2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C23H24FN7O3/c1-30-23(32)20-17(26-16-5-3-4-15(24)21(16)33-2)12-19(28-22(20)29-30)27-18-7-6-14(13-25-18)31-8-10-34-11-9-31/h3-7,12-13H,8-11H2,1-2H3,(H3,25,26,27,28,29)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.5n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399653
PNG
(US10323036, Compound I-97 | US10793574, Compound I...)
Show SMILES COCc1ccnc(Nc2cc(Nc3cccc(Cl)c3OC)c3c(n2)[nH]n(C)c3=O)c1
Show InChI InChI=1S/C21H21ClN6O3/c1-28-21(29)18-15(24-14-6-4-5-13(22)19(14)31-3)10-17(26-20(18)27-28)25-16-9-12(11-30-2)7-8-23-16/h4-10H,11H2,1-3H3,(H3,23,24,25,26,27)
PDB

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PC sid
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US Patent
n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

More data for this
Ligand-Target Pair
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))
BDBM399558
PNG
(US10323036, Compound I-1 | US10323036, Compound I-...)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C20H21N9O3/c1-28-20(31)15-13(9-14(22-18(15)25-28)23-19(30)10-7-8-10)21-12-6-4-5-11(16(12)32-3)17-24-27-29(2)26-17/h4-6,9-10H,7-8H2,1-3H3,(H3,21,22,23,25,30)
PDB

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UniChem
US Patent
n/an/an/a<0.100n/an/an/an/an/a



Nimbus Lakshmi, 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 US10793574 (2020)

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