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BDBM246886 US10053465, 25::US10077277, Example 25::US10125150, Example 25::US9732097, Example 25::{trans-5-3-(4-{[4- ({[(2S)-2- hydroxypropyl] amino}methyl)-6- (trifluoromethyl) pyridin-2- yl]oxy}piperidin-1- yl)-1-[4-(7H- pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]cyclobutyl} acetonitrile

SMILES: C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F

InChI Key: InChIKey=FHTRVONXSDSHCU-NRVKVJMMSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 246886   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246886
PNG
(US10053465, 25 | US10077277, Example 25 | US101251...)
Show SMILES C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/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)


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


(Homo sapiens (Human))
BDBM246886
PNG
(US10053465, 25 | US10077277, Example 25 | US101251...)
Show SMILES C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m0/s1
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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))
BDBM246886
PNG
(US10053465, 25 | US10077277, Example 25 | US101251...)
Show SMILES C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m0/s1
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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))
BDBM246886
PNG
(US10053465, 25 | US10077277, Example 25 | US101251...)
Show SMILES C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m0/s1
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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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM246886
PNG
(US10053465, 25 | US10077277, Example 25 | US101251...)
Show SMILES C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/a25



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM246886
PNG
(US10053465, 25 | US10077277, Example 25 | US101251...)
Show SMILES C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m0/s1
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n/an/a>3.00E+3n/an/an/an/an/a25



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)


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


(Homo sapiens (Human))
BDBM246886
PNG
(US10053465, 25 | US10077277, Example 25 | US101251...)
Show SMILES C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m0/s1
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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)

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


(Homo sapiens (Human))
BDBM246886
PNG
(US10053465, 25 | US10077277, Example 25 | US101251...)
Show SMILES C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m0/s1
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n/an/a>3.00E+3n/an/an/an/an/a25



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair