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BDBM99536 US8501936, 34

SMILES: COc1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)S(C)(=O)=O)cc1

InChI Key: InChIKey=STGHZPGFCOXZTG-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 99536   
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 JAK3


(Homo sapiens (Human))
BDBM99536
PNG
(US8501936, 34)
Show SMILES COc1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)S(C)(=O)=O)cc1 |t:18|
Show InChI InChI=1S/C19H21N5O3S/c1-27-16-7-5-15(6-8-16)20-19-21-18-17(4-3-11-24(18)22-19)14-9-12-23(13-10-14)28(2,25)26/h3-9,11H,10,12-13H2,1-2H3,(H,20,22)
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PC cid
PC sid
UniChem
US Patent
n/an/a 68n/an/an/an/an/an/a



Cephalon, Inc.

US Patent


Assay Description
The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...


US Patent US8501936 (2013)


BindingDB Entry DOI: 10.7270/Q22Z1455
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99536
PNG
(US8501936, 34)
Show SMILES COc1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)S(C)(=O)=O)cc1 |t:18|
Show InChI InChI=1S/C19H21N5O3S/c1-27-16-7-5-15(6-8-16)20-19-21-18-17(4-3-11-24(18)22-19)14-9-12-23(13-10-14)28(2,25)26/h3-9,11H,10,12-13H2,1-2H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Cephalon, Inc.

US Patent


Assay Description
The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...


US Patent US8501936 (2013)


BindingDB Entry DOI: 10.7270/Q22Z1455
More data for this
Ligand-Target Pair