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BDBM232601 US9346815, 147::US9604984, Example 147

SMILES: Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCC(=O)N2CCOCC2)CC1

InChI Key: InChIKey=ZPPSYUMYCJLBQU-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 = 232601   
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))
BDBM232601
PNG
(US9346815, 147 | US9604984, Example 147)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCC(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C30H34ClF2N9O4/c31-19-4-5-23(46-30(32)33)21(17-19)26-22(36-29(44)25-27(34)38-41-10-2-8-35-28(25)41)18-42(37-26)20-6-11-39(12-7-20)9-1-3-24(43)40-13-15-45-16-14-40/h2,4-5,8,10,17-18,20,30H,1,3,6-7,9,11-16H2,(H2,34,38)(H,36,44)
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PC cid
PC sid
UniChem
US Patent
0.140 -13.3n/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))
BDBM232601
PNG
(US9346815, 147 | US9604984, Example 147)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCC(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C30H34ClF2N9O4/c31-19-4-5-23(46-30(32)33)21(17-19)26-22(36-29(44)25-27(34)38-41-10-2-8-35-28(25)41)18-42(37-26)20-6-11-39(12-7-20)9-1-3-24(43)40-13-15-45-16-14-40/h2,4-5,8,10,17-18,20,30H,1,3,6-7,9,11-16H2,(H2,34,38)(H,36,44)
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
0.140n/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))
BDBM232601
PNG
(US9346815, 147 | US9604984, Example 147)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCC(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C30H34ClF2N9O4/c31-19-4-5-23(46-30(32)33)21(17-19)26-22(36-29(44)25-27(34)38-41-10-2-8-35-28(25)41)18-42(37-26)20-6-11-39(12-7-20)9-1-3-24(43)40-13-15-45-16-14-40/h2,4-5,8,10,17-18,20,30H,1,3,6-7,9,11-16H2,(H2,34,38)(H,36,44)
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PC sid
UniChem
US Patent
0.550n/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))
BDBM232601
PNG
(US9346815, 147 | US9604984, Example 147)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCC(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C30H34ClF2N9O4/c31-19-4-5-23(46-30(32)33)21(17-19)26-22(36-29(44)25-27(34)38-41-10-2-8-35-28(25)41)18-42(37-26)20-6-11-39(12-7-20)9-1-3-24(43)40-13-15-45-16-14-40/h2,4-5,8,10,17-18,20,30H,1,3,6-7,9,11-16H2,(H2,34,38)(H,36,44)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.550 -12.5n/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