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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM246883'   
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))
BDBM246883
PNG
(US10053465, 22 | US10065963, Compound 22 | US10125...)
Show SMILES O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)26-11-20(14-41-10-6-23(44)16-41)12-27(40-26)45-24-3-1-22(2-4-24)42-17-30(18-42,7-8-35)43-15-21(13-39-43)28-25-5-9-36-29(25)38-19-37-28/h5,9,11-13,15,19,22-24,44H,1-4,6-7,10,14,16-18H2,(H,36,37,38)/t22-,23-,24+/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US9708333 (2017)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2KD20XW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246883
PNG
(US10053465, 22 | US10065963, Compound 22 | US10125...)
Show SMILES O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)26-11-20(14-41-10-6-23(44)16-41)12-27(40-26)45-24-3-1-22(2-4-24)42-17-30(18-42,7-8-35)43-15-21(13-39-43)28-25-5-9-36-29(25)38-19-37-28/h5,9,11-13,15,19,22-24,44H,1-4,6-7,10,14,16-18H2,(H,36,37,38)/t22-,23-,24+/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The compounds in Table A were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analy...


US Patent US10125150 (2018)


Article DOI: 10.1021/jm0308904
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246883
PNG
(US10053465, 22 | US10065963, Compound 22 | US10125...)
Show SMILES O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)26-11-20(14-41-10-6-23(44)16-41)12-27(40-26)45-24-3-1-22(2-4-24)42-17-30(18-42,7-8-35)43-15-21(13-39-43)28-25-5-9-36-29(25)38-19-37-28/h5,9,11-13,15,19,22-24,44H,1-4,6-7,10,14,16-18H2,(H,36,37,38)/t22-,23-,24+/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)


Article DOI: 10.1021/jm960871c
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246883
PNG
(US10053465, 22 | US10065963, Compound 22 | US10125...)
Show SMILES O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)26-11-20(14-41-10-6-23(44)16-41)12-27(40-26)45-24-3-1-22(2-4-24)42-17-30(18-42,7-8-35)43-15-21(13-39-43)28-25-5-9-36-29(25)38-19-37-28/h5,9,11-13,15,19,22-24,44H,1-4,6-7,10,14,16-18H2,(H,36,37,38)/t22-,23-,24+/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
In some embodiments, the additional pharmaceutical agent is a JAK1 and/or JAK2 inhibitor. In some embodiments, the present application provides a met...


US Patent US10077277 (2018)

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


(Homo sapiens (Human))
BDBM246883
PNG
(US10053465, 22 | US10065963, Compound 22 | US10125...)
Show SMILES O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)26-11-20(14-41-10-6-23(44)16-41)12-27(40-26)45-24-3-1-22(2-4-24)42-17-30(18-42,7-8-35)43-15-21(13-39-43)28-25-5-9-36-29(25)38-19-37-28/h5,9,11-13,15,19,22-24,44H,1-4,6-7,10,14,16-18H2,(H,36,37,38)/t22-,23-,24+/m0/s1
PDB

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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246883
PNG
(US10053465, 22 | US10065963, Compound 22 | US10125...)
Show SMILES O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)26-11-20(14-41-10-6-23(44)16-41)12-27(40-26)45-24-3-1-22(2-4-24)42-17-30(18-42,7-8-35)43-15-21(13-39-43)28-25-5-9-36-29(25)38-19-37-28/h5,9,11-13,15,19,22-24,44H,1-4,6-7,10,14,16-18H2,(H,36,37,38)/t22-,23-,24+/m0/s1
PDB

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n/an/a<100n/an/an/an/a7.825



Incyte Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...


US Patent US10065963 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair