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BDBM232744 US9346815, 290::US9604984, Example 290

SMILES: Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F

InChI Key: InChIKey=QBRHKUPULOMUFA-UHFFFAOYSA-N

Data: 4 KI

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 = 232744   
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 JAK2


(Homo sapiens (Human))
BDBM232744
PNG
(US9346815, 290 | US9604984, Example 290)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C23H21ClF2N8O4/c24-13-2-3-16(38-23(25)26)14(10-13)19-15(11-33(30-19)12-17(35)32-6-8-37-9-7-32)29-22(36)18-20(27)31-34-5-1-4-28-21(18)34/h1-5,10-11,23H,6-9,12H2,(H2,27,31)(H,29,36)
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PC cid
PC sid
UniChem
US Patent
0.110 -13.4n/an/an/an/an/a7.222



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 US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232744
PNG
(US9346815, 290 | US9604984, Example 290)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C23H21ClF2N8O4/c24-13-2-3-16(38-23(25)26)14(10-13)19-15(11-33(30-19)12-17(35)32-6-8-37-9-7-32)29-22(36)18-20(27)31-34-5-1-4-28-21(18)34/h1-5,10-11,23H,6-9,12H2,(H2,27,31)(H,29,36)
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antibodypedia
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PC sid
UniChem
US Patent
0.110n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9604984 (2017)


BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232744
PNG
(US9346815, 290 | US9604984, Example 290)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C23H21ClF2N8O4/c24-13-2-3-16(38-23(25)26)14(10-13)19-15(11-33(30-19)12-17(35)32-6-8-37-9-7-32)29-22(36)18-20(27)31-34-5-1-4-28-21(18)34/h1-5,10-11,23H,6-9,12H2,(H2,27,31)(H,29,36)
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PC sid
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US Patent
0.240n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9604984 (2017)


BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232744
PNG
(US9346815, 290 | US9604984, Example 290)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C23H21ClF2N8O4/c24-13-2-3-16(38-23(25)26)14(10-13)19-15(11-33(30-19)12-17(35)32-6-8-37-9-7-32)29-22(36)18-20(27)31-34-5-1-4-28-21(18)34/h1-5,10-11,23H,6-9,12H2,(H2,27,31)(H,29,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.240 -13.0n/an/an/an/an/a7.222



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 US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair