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SMILES: CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12

InChI Key: InChIKey=DHEBFJJCQBLOPI-KRWDZBQOSA-N

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 4 hits for monomerid = 286098   
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))
BDBM286098
PNG
((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.80n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)


BindingDB Entry DOI: 10.7270/Q2R213D4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM286098
PNG
((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24.7n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)


BindingDB Entry DOI: 10.7270/Q2R213D4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM286098
PNG
((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)


BindingDB Entry DOI: 10.7270/Q2R213D4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM286098
PNG
((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 58.6n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)


BindingDB Entry DOI: 10.7270/Q2R213D4
More data for this
Ligand-Target Pair