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Compile Data Set for Download or QSAR

Found 1937 hits with Last Name = 'gibbons' and Initial = 'p'   
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))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of purified JAK1 incubated for 30 mins


J Med Chem 55: 10090-107 (2012)


Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM116315
PNG
(US8637526, 248)
Show SMILES Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1
Show InChI InChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)
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US Patent
0.100 -56.5n/an/an/an/an/a7.222



Genentech, Inc.

US Patent


Assay Description
To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...


US Patent US8637526 (2014)


BindingDB Entry DOI: 10.7270/Q25719Q3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50399014
PNG
(CHEMBL2178805)
Show SMILES Cc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12
Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-11(19)7-12(10)16-14(9-25(2)24-16)22-18(27)13-8-21-26-6-5-15(20)23-17(13)26/h3-9H,1-2H3,(H2,20,23)(H,22,27)
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of purified JAK2 incubated for 30 mins


J Med Chem 55: 10090-107 (2012)


Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 (828-1132) expressed in baculovirus-infected Sf9 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay


J Med Chem 56: 4521-36 (2013)


Article DOI: 10.1021/jm400266t
BindingDB Entry DOI: 10.7270/Q2VX0HX0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...


J Med Chem 55: 6176-93 (2012)


Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434787
PNG
(CHEMBL2386635)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50399015
PNG
(CHEMBL2178804)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C17H13Cl2N7O/c1-25-8-13(15(24-25)10-6-9(18)2-3-12(10)19)22-17(27)11-7-21-26-5-4-14(20)23-16(11)26/h2-8H,1H3,(H2,20,23)(H,22,27)
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of purified JAK2 incubated for 30 mins


J Med Chem 55: 10090-107 (2012)


Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324590
PNG
(1-[3-[2-[[1-[2-(4- cyclohexylpiperazin-1-yl)- 2-ox...)
Show SMILES FC(F)(F)CCC(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCCCC4)c3)nc12
Show InChI InChI=1S/C31H41F3N10O2/c32-31(33,34)11-10-27(45)44-24-8-9-25(44)20-41(19-24)26-7-4-12-43-29(26)37-30(38-43)36-22-17-35-42(18-22)21-28(46)40-15-13-39(14-16-40)23-5-2-1-3-6-23/h4,7,12,17-18,23-25H,1-3,5-6,8-11,13-16,19-21H2,(H,36,38)
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0.200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324607
PNG
(2-[4-[[8-[8-(3- fluoroazetidine-1- carbonyl)-3,8- ...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)C2)cn1
Show InChI InChI=1S/C26H34FN11O2/c1-32-7-9-33(10-8-32)23(39)17-36-14-19(11-28-36)29-25-30-24-22(3-2-6-37(24)31-25)34-15-20-4-5-21(16-34)38(20)26(40)35-12-18(27)13-35/h2-3,6,11,14,18,20-21H,4-5,7-10,12-13,15-17H2,1H3,(H,29,31)
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0.200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324623
PNG
(1-[4-(2- methylsulfanylethyl)piperazin- 1-yl]-2-[4...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C29H38F3N11O2S/c1-46-12-11-37-7-9-38(10-8-37)25(44)19-41-16-21(13-33-41)34-27-35-26-24(3-2-6-42(26)36-27)39-17-22-4-5-23(18-39)43(22)28(45)40-14-20(15-40)29(30,31)32/h2-3,6,13,16,20,22-23H,4-5,7-12,14-15,17-19H2,1H3,(H,34,36)
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0.200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324623
PNG
(1-[4-(2- methylsulfanylethyl)piperazin- 1-yl]-2-[4...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C29H38F3N11O2S/c1-46-12-11-37-7-9-38(10-8-37)25(44)19-41-16-21(13-33-41)34-27-35-26-24(3-2-6-42(26)36-27)39-17-22-4-5-23(18-39)43(22)28(45)40-14-20(15-40)29(30,31)32/h2-3,6,13,16,20,22-23H,4-5,7-12,14-15,17-19H2,1H3,(H,34,36)
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0.200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324625
PNG
(2-[4-[[8-[8-(4,4- difluoropiperidine-1- carbonyl)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CCC(F)(F)CC2)cn1
Show InChI InChI=1S/C28H37F2N11O2/c1-35-11-13-36(14-12-35)24(42)19-39-16-20(15-31-39)32-26-33-25-23(3-2-8-40(25)34-26)38-17-21-4-5-22(18-38)41(21)27(43)37-9-6-28(29,30)7-10-37/h2-3,8,15-16,21-22H,4-7,9-14,17-19H2,1H3,(H,32,34)
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0.200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324625
PNG
(2-[4-[[8-[8-(4,4- difluoropiperidine-1- carbonyl)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CCC(F)(F)CC2)cn1
Show InChI InChI=1S/C28H37F2N11O2/c1-35-11-13-36(14-12-35)24(42)19-39-16-20(15-31-39)32-26-33-25-23(3-2-8-40(25)34-26)38-17-21-4-5-22(18-38)41(21)27(43)37-9-6-28(29,30)7-10-37/h2-3,8,15-16,21-22H,4-7,9-14,17-19H2,1H3,(H,32,34)
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0.200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 (837-1142) expressed in baculovirus-infected Sf9 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay


J Med Chem 56: 4521-36 (2013)


Article DOI: 10.1021/jm400266t
BindingDB Entry DOI: 10.7270/Q2VX0HX0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324545
PNG
(2-[4-[[8-[8-(4- chlorophenyl)-3,8- diazabicyclo[3....)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C28H33ClN10O/c1-34-11-13-35(14-12-34)26(40)19-37-16-21(15-30-37)31-28-32-27-25(3-2-10-38(27)33-28)36-17-23-8-9-24(18-36)39(23)22-6-4-20(29)5-7-22/h2-7,10,15-16,23-24H,8-9,11-14,17-19H2,1H3,(H,31,33)
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0.200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324572
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(4- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(cc2)C(F)(F)F)cn1
Show InChI InChI=1S/C29H33F3N10O3S/c1-37-11-13-38(14-12-37)26(43)19-40-16-21(15-33-40)34-28-35-27-25(3-2-10-41(27)36-28)39-17-22-6-7-23(18-39)42(22)46(44,45)24-8-4-20(5-9-24)29(30,31)32/h2-5,8-10,15-16,22-23H,6-7,11-14,17-19H2,1H3,(H,34,36)
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0.200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324578
PNG
(2-[4-[[8-[8-[3-hydroxy-3- (trifluoromethyl)azetidi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(O)(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C27H34F3N11O3/c1-35-7-9-36(10-8-35)22(42)15-39-12-18(11-31-39)32-24-33-23-21(3-2-6-40(23)34-24)37-13-19-4-5-20(14-37)41(19)25(43)38-16-26(44,17-38)27(28,29)30/h2-3,6,11-12,19-20,44H,4-5,7-10,13-17H2,1H3,(H,32,34)
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0.200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059194
PNG
(CHEMBL3393337)
Show SMILES N#Cc1ccnc(Nc2cc(cc(OC3CCC3)n2)C2CCN(CC2)C2COC2)c1
Show InChI InChI=1S/C23H27N5O2/c24-13-16-4-7-25-21(10-16)26-22-11-18(12-23(27-22)30-20-2-1-3-20)17-5-8-28(9-6-17)19-14-29-15-19/h4,7,10-12,17,19-20H,1-3,5-6,8-9,14-15H2,(H,25,26,27)
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0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...


J Med Chem 55: 6176-93 (2012)


Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50402074
PNG
(CHEMBL2206059 | US10112907, Example 00024)
Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...


Bioorg Med Chem Lett 22: 7627-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.008
BindingDB Entry DOI: 10.7270/Q2P55PPP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324428
PNG
(2-[4-[[8-[(1S,5R)-8- benzyloxy-3- azabicyclo[3.2.1...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccccc2)cn1
Show InChI InChI=1S/C30H37N9O2/c1-35-12-14-36(15-13-35)27(40)20-38-19-25(16-31-38)32-30-33-29-26(8-5-11-39(29)34-30)37-17-23-9-10-24(18-37)28(23)41-21-22-6-3-2-4-7-22/h2-8,11,16,19,23-24,28H,9-10,12-15,17-18,20-21H2,1H3,(H,32,34)/t23-,24+,28+
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0.200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of purified JAK2 incubated for 30 mins


J Med Chem 55: 10090-107 (2012)


Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK3 kinase domain using FITC-KGGEEEEYFELVKK as substrate by peptide mobility shift assay


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324513
PNG
(1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4-[4 [[8-[8...)
Show SMILES FC(F)(F)[C@@H]1C[C@@H](C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12
Show InChI InChI=1S/C30H37F3N10O2S/c31-30(32,33)20-10-19(11-20)28(45)43-22-3-4-23(43)15-40(14-22)25-2-1-5-42-27(25)36-29(37-42)35-21-12-34-41(13-21)16-26(44)39-8-6-38(7-9-39)24-17-46-18-24/h1-2,5,12-13,19-20,22-24H,3-4,6-11,14-18H2,(H,35,37)/t19-,20+,22?,23?
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM50434786
PNG
(CHEMBL2386636)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324519
PNG
(2-[4-[[8-[8-(3- chlorophenyl)sulfonyl-3,8- diazabi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccc(Cl)c2)cn1
Show InChI InChI=1S/C28H33ClN10O3S/c1-34-10-12-35(13-11-34)26(40)19-37-16-21(15-30-37)31-28-32-27-25(6-3-9-38(27)33-28)36-17-22-7-8-23(18-36)39(22)43(41,42)24-5-2-4-20(29)14-24/h2-6,9,14-16,22-23H,7-8,10-13,17-19H2,1H3,(H,31,33)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324590
PNG
(1-[3-[2-[[1-[2-(4- cyclohexylpiperazin-1-yl)- 2-ox...)
Show SMILES FC(F)(F)CCC(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCCCC4)c3)nc12
Show InChI InChI=1S/C31H41F3N10O2/c32-31(33,34)11-10-27(45)44-24-8-9-25(44)20-41(19-24)26-7-4-12-43-29(26)37-30(38-43)36-22-17-35-42(18-22)21-28(46)40-15-13-39(14-16-40)23-5-2-1-3-6-23/h4,7,12,17-18,23-25H,1-3,5-6,8-11,13-16,19-21H2,(H,36,38)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324607
PNG
(2-[4-[[8-[8-(3- fluoroazetidine-1- carbonyl)-3,8- ...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)C2)cn1
Show InChI InChI=1S/C26H34FN11O2/c1-32-7-9-33(10-8-32)23(39)17-36-14-19(11-28-36)29-25-30-24-22(3-2-6-37(24)31-25)34-15-20-4-5-21(16-34)38(20)26(40)35-12-18(27)13-35/h2-3,6,11,14,18,20-21H,4-5,7-10,12-13,15-17H2,1H3,(H,29,31)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324620
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CCS(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
Show InChI InChI=1S/C24H34N10O3S/c1-3-38(36,37)34-19-6-7-20(34)16-31(15-19)21-5-4-8-33-23(21)27-24(28-33)26-18-13-25-32(14-18)17-22(35)30-11-9-29(2)10-12-30/h4-5,8,13-14,19-20H,3,6-7,9-12,15-17H2,1-2H3,(H,26,28)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324626
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[rac-(1S,5R)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@H]3OCc2ccncc2)cn1
Show InChI InChI=1S/C29H36N10O2/c1-35-11-13-36(14-12-35)26(40)19-38-18-24(15-31-38)32-29-33-28-25(3-2-10-39(28)34-29)37-16-22-4-5-23(17-37)27(22)41-20-21-6-8-30-9-7-21/h2-3,6-10,15,18,22-23,27H,4-5,11-14,16-17,19-20H2,1H3,(H,32,34)/t22-,23+,27-
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324634
PNG
(1-[4-(2- methylsulfanylethyl)- piperazin-1-yl]-2-[...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C30H39F3N10O2S/c1-46-12-11-38-7-9-39(10-8-38)26(44)19-41-16-22(15-34-41)35-29-36-27-25(3-2-6-42(27)37-29)40-17-23-4-5-24(18-40)43(23)28(45)20-13-21(14-20)30(31,32)33/h2-3,6,15-16,20-21,23-24H,4-5,7-14,17-19H2,1H3,(H,35,37)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324634
PNG
(1-[4-(2- methylsulfanylethyl)- piperazin-1-yl]-2-[...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C30H39F3N10O2S/c1-46-12-11-38-7-9-39(10-8-38)26(44)19-41-16-22(15-34-41)35-29-36-27-25(3-2-6-42(27)37-29)40-17-23-4-5-24(18-40)43(23)28(45)20-13-21(14-20)30(31,32)33/h2-3,6,15-16,20-21,23-24H,4-5,7-14,17-19H2,1H3,(H,35,37)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM99582
PNG
(US8501936, 81)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(cc4)S(C)(=O)=O)n3n2)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-14-16-29(17-15-28)20-10-8-19(9-11-20)25-24-26-23-5-3-4-22(30(23)27-24)18-6-12-21(13-7-18)33(2,31)32/h3-13H,14-17H2,1-2H3,(H,25,27)
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324524
PNG
(2-[4-[[8-[8-(4- chlorophenyl)sulfonyl-3,8- diazabi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C28H33ClN10O3S/c1-34-11-13-35(14-12-34)26(40)19-37-16-21(15-30-37)31-28-32-27-25(3-2-10-38(27)33-28)36-17-22-6-7-23(18-36)39(22)43(41,42)24-8-4-20(29)5-9-24/h2-5,8-10,15-16,22-23H,6-7,11-14,17-19H2,1H3,(H,31,33)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324545
PNG
(2-[4-[[8-[8-(4- chlorophenyl)-3,8- diazabicyclo[3....)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C28H33ClN10O/c1-34-11-13-35(14-12-34)26(40)19-37-16-21(15-30-37)31-28-32-27-25(3-2-10-38(27)33-28)36-17-23-8-9-24(18-36)39(23)22-6-4-20(29)5-7-22/h2-7,10,15-16,23-24H,8-9,11-14,17-19H2,1H3,(H,31,33)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324559
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[9-[3- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C28H36F3N11O2/c1-36-8-10-37(11-9-36)24(43)18-40-15-20(12-32-40)33-26-34-25-23(6-3-7-41(25)35-26)38-16-21-4-2-5-22(17-38)42(21)27(44)39-13-19(14-39)28(29,30)31/h3,6-7,12,15,19,21-22H,2,4-5,8-11,13-14,16-18H2,1H3,(H,33,35)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324578
PNG
(2-[4-[[8-[8-[3-hydroxy-3- (trifluoromethyl)azetidi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(O)(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C27H34F3N11O3/c1-35-7-9-36(10-8-35)22(42)15-39-12-18(11-31-39)32-24-33-23-21(3-2-6-40(23)34-24)37-13-19-4-5-20(14-37)41(19)25(43)38-16-26(44,17-38)27(28,29)30/h2-3,6,11-12,19-20,44H,4-5,7-10,13-17H2,1H3,(H,32,34)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324584
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2C#N)cn1
Show InChI InChI=1S/C29H33N11O3S/c1-35-11-13-36(14-12-35)27(41)20-38-17-22(16-31-38)32-29-33-28-25(6-4-10-39(28)34-29)37-18-23-8-9-24(19-37)40(23)44(42,43)26-7-3-2-5-21(26)15-30/h2-7,10,16-17,23-24H,8-9,11-14,18-20H2,1H3,(H,32,34)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM50399016
PNG
(CHEMBL2178803 | US8637526, 225)
Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12
Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)
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0.300 -53.8n/an/an/an/an/a7.222



Genentech, Inc.

US Patent


Assay Description
To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...


US Patent US8637526 (2014)


BindingDB Entry DOI: 10.7270/Q25719Q3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50391993
PNG
(CHEMBL2152297)
Show SMILES C[C@@H]1CCN(C[C@@H]1n1cnc2cnc3[nH]ccc3c12)C(=O)CC#N
Show InChI InChI=1S/C17H18N6O/c1-11-4-7-22(15(24)2-5-18)9-14(11)23-10-21-13-8-20-17-12(16(13)23)3-6-19-17/h3,6,8,10-11,14H,2,4,7,9H2,1H3,(H,19,20)/t11-,14+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50399016
PNG
(CHEMBL2178803 | US8637526, 225)
Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12
Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of purified JAK2 incubated for 30 mins


J Med Chem 55: 10090-107 (2012)


Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50399019
PNG
(CHEMBL2178801)
Show SMILES COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H15ClN6O2/c1-24-10-14(16(23-24)12-8-11(19)4-5-15(12)27-2)22-18(26)13-9-21-25-7-3-6-20-17(13)25/h3-10H,1-2H3,(H,22,26)
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of purified JAK2 incubated for 30 mins


J Med Chem 55: 10090-107 (2012)


Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50402074
PNG
(CHEMBL2206059 | US10112907, Example 00024)
Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...


Bioorg Med Chem Lett 22: 7627-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.008
BindingDB Entry DOI: 10.7270/Q2P55PPP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324519
PNG
(2-[4-[[8-[8-(3- chlorophenyl)sulfonyl-3,8- diazabi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccc(Cl)c2)cn1
Show InChI InChI=1S/C28H33ClN10O3S/c1-34-10-12-35(13-11-34)26(40)19-37-16-21(15-30-37)31-28-32-27-25(6-3-9-38(27)33-28)36-17-22-7-8-23(18-36)39(22)43(41,42)24-5-2-4-20(29)14-24/h2-6,9,14-16,22-23H,7-8,10-13,17-19H2,1H3,(H,31,33)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324466
PNG
(1-(4-tetrahydropyran-4- ylpiperazin-1-yl)-2-[4-[[8...)
Show SMILES FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCOCC4)c3)nc12
Show InChI InChI=1S/C31H40F3N11O3/c32-31(33,34)21-15-42(16-21)30(47)45-24-3-4-25(45)19-41(18-24)26-2-1-7-44-28(26)37-29(38-44)36-22-14-35-43(17-22)20-27(46)40-10-8-39(9-11-40)23-5-12-48-13-6-23/h1-2,7,14,17,21,23-25H,3-6,8-13,15-16,18-20H2,(H,36,38)
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0.400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused JAK3 catalytic domain expressed in baculovirus-infected Sf9 cells using polyglutamic acid-tyrosine as substrate after 3...


J Med Chem 56: 4521-36 (2013)


Article DOI: 10.1021/jm400266t
BindingDB Entry DOI: 10.7270/Q2VX0HX0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324515
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[(1S,5R)-8-(3...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2cccnc2)cn1
Show InChI InChI=1S/C29H36N10O2/c1-35-10-12-36(13-11-35)26(40)19-38-18-24(15-31-38)32-29-33-28-25(5-3-9-39(28)34-29)37-16-22-6-7-23(17-37)27(22)41-20-21-4-2-8-30-14-21/h2-5,8-9,14-15,18,22-23,27H,6-7,10-13,16-17,19-20H2,1H3,(H,32,34)/t22-,23+,27+
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0.400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324594
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(thiophene...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccsc2)cn1
Show InChI InChI=1S/C27H32N10O2S/c1-32-8-10-33(11-9-32)24(38)17-35-14-20(13-28-35)29-27-30-25-23(3-2-7-36(25)31-27)34-15-21-4-5-22(16-34)37(21)26(39)19-6-12-40-18-19/h2-3,6-7,12-14,18,21-22H,4-5,8-11,15-17H2,1H3,(H,29,31)
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0.400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324602
PNG
(2-[4-[[8-[8-[(3- chlorophenyl)methylsulfonyl]- 3,8...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2cccc(Cl)c2)cn1
Show InChI InChI=1S/C29H35ClN10O3S/c1-35-10-12-36(13-11-35)27(41)19-38-16-23(15-31-38)32-29-33-28-26(6-3-9-39(28)34-29)37-17-24-7-8-25(18-37)40(24)44(42,43)20-21-4-2-5-22(30)14-21/h2-6,9,14-16,24-25H,7-8,10-13,17-20H2,1H3,(H,32,34)
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0.400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

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


(Homo sapiens (Human))
BDBM324620
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CCS(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
Show InChI InChI=1S/C24H34N10O3S/c1-3-38(36,37)34-19-6-7-20(34)16-31(15-19)21-5-4-8-33-23(21)27-24(28-33)26-18-13-25-32(14-18)17-22(35)30-11-9-29(2)10-12-30/h4-5,8,13-14,19-20H,3,6-7,9-12,15-17H2,1-2H3,(H,26,28)
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0.400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US10189836 (2019)

More data for this
Ligand-Target Pair
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