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BDBM232626 US9346815, 172::US9604984, Example 172

SMILES: CN1CCCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F

InChI Key: InChIKey=CTTIFXYZCOWCMI-UHFFFAOYNA-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 = 232626   
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))
BDBM232626
PNG
(US9346815, 172 | US9604984, Example 172)
Show SMILES CN1CCCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1/C24H25ClF2N8O2/c1-33-9-2-4-15(7-11-33)35-13-17(20(31-35)16-12-14(25)5-6-18(16)37-24(26)27)30-23(36)19-21(28)32-34-10-3-8-29-22(19)34/h3,5-6,8,10,12-13,15,24H,2,4,7,9,11H2,1H3,(H2,28,32)(H,30,36)
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PC cid
PC sid
UniChem
US Patent
0.150 -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))
BDBM232626
PNG
(US9346815, 172 | US9604984, Example 172)
Show SMILES CN1CCCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1/C24H25ClF2N8O2/c1-33-9-2-4-15(7-11-33)35-13-17(20(31-35)16-12-14(25)5-6-18(16)37-24(26)27)30-23(36)19-21(28)32-34-10-3-8-29-22(19)34/h3,5-6,8,10,12-13,15,24H,2,4,7,9,11H2,1H3,(H2,28,32)(H,30,36)
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antibodypedia
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PC sid
UniChem
US Patent
0.150n/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))
BDBM232626
PNG
(US9346815, 172 | US9604984, Example 172)
Show SMILES CN1CCCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1/C24H25ClF2N8O2/c1-33-9-2-4-15(7-11-33)35-13-17(20(31-35)16-12-14(25)5-6-18(16)37-24(26)27)30-23(36)19-21(28)32-34-10-3-8-29-22(19)34/h3,5-6,8,10,12-13,15,24H,2,4,7,9,11H2,1H3,(H2,28,32)(H,30,36)
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PC sid
UniChem
US Patent
0.880n/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))
BDBM232626
PNG
(US9346815, 172 | US9604984, Example 172)
Show SMILES CN1CCCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1/C24H25ClF2N8O2/c1-33-9-2-4-15(7-11-33)35-13-17(20(31-35)16-12-14(25)5-6-18(16)37-24(26)27)30-23(36)19-21(28)32-34-10-3-8-29-22(19)34/h3,5-6,8,10,12-13,15,24H,2,4,7,9,11H2,1H3,(H2,28,32)(H,30,36)
PDB

Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
US Patent
0.880 -12.2n/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