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BDBM232909 US9346815, 455::US9604984, Example 455

SMILES: FC(F)Oc1ccc(Cl)cc1-c1nn(Cc2cn(nn2)C2CCN(CC2)C2CCOC2)cc1NC(=O)c1cnn2cccnc12

InChI Key: InChIKey=WTSIUKKVAPRGQS-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 = 232909   
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))
BDBM232909
PNG
(US9346815, 455 | US9604984, Example 455)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(Cc2cn(nn2)C2CCN(CC2)C2CCOC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1/C29H29ClF2N10O3/c30-18-2-3-25(45-29(31)32)22(12-18)26-24(35-28(43)23-13-34-41-8-1-7-33-27(23)41)16-40(37-26)14-19-15-42(38-36-19)20-4-9-39(10-5-20)21-6-11-44-17-21/h1-3,7-8,12-13,15-16,20-21,29H,4-6,9-11,14,17H2,(H,35,43)
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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))
BDBM232909
PNG
(US9346815, 455 | US9604984, Example 455)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(Cc2cn(nn2)C2CCN(CC2)C2CCOC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1/C29H29ClF2N10O3/c30-18-2-3-25(45-29(31)32)22(12-18)26-24(35-28(43)23-13-34-41-8-1-7-33-27(23)41)16-40(37-26)14-19-15-42(38-36-19)20-4-9-39(10-5-20)21-6-11-44-17-21/h1-3,7-8,12-13,15-16,20-21,29H,4-6,9-11,14,17H2,(H,35,43)
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antibodypedia
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PC cid
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))
BDBM232909
PNG
(US9346815, 455 | US9604984, Example 455)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(Cc2cn(nn2)C2CCN(CC2)C2CCOC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1/C29H29ClF2N10O3/c30-18-2-3-25(45-29(31)32)22(12-18)26-24(35-28(43)23-13-34-41-8-1-7-33-27(23)41)16-40(37-26)14-19-15-42(38-36-19)20-4-9-39(10-5-20)21-6-11-44-17-21/h1-3,7-8,12-13,15-16,20-21,29H,4-6,9-11,14,17H2,(H,35,43)
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PC sid
UniChem
US Patent
0.300n/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))
BDBM232909
PNG
(US9346815, 455 | US9604984, Example 455)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(Cc2cn(nn2)C2CCN(CC2)C2CCOC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1/C29H29ClF2N10O3/c30-18-2-3-25(45-29(31)32)22(12-18)26-24(35-28(43)23-13-34-41-8-1-7-33-27(23)41)16-40(37-26)14-19-15-42(38-36-19)20-4-9-39(10-5-20)21-6-11-44-17-21/h1-3,7-8,12-13,15-16,20-21,29H,4-6,9-11,14,17H2,(H,35,43)
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
0.300 -12.9n/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