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SMILES: CN1CCN(Cc2cccc(Nc3ncc4CN(CCc4n3)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c2)CC1

InChI Key: InChIKey=HJRJXYSRPDUZLG-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 148325   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM148325
PNG
(US8962637, 137 | US8962637, 51)
Show SMILES CN1CCN(Cc2cccc(Nc3ncc4CN(CCc4n3)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c2)CC1
Show InChI InChI=1S/C34H36F3N7O/c1-23-9-10-29(39-32(45)25-6-4-7-27(18-25)34(35,36)37)19-31(23)44-12-11-30-26(22-44)20-38-33(41-30)40-28-8-3-5-24(17-28)21-43-15-13-42(2)14-16-43/h3-10,17-20H,11-16,21-22H2,1-2H3,(H,39,45)(H,38,40,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...


US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM148325
PNG
(US8962637, 137 | US8962637, 51)
Show SMILES CN1CCN(Cc2cccc(Nc3ncc4CN(CCc4n3)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c2)CC1
Show InChI InChI=1S/C34H36F3N7O/c1-23-9-10-29(39-32(45)25-6-4-7-27(18-25)34(35,36)37)19-31(23)44-12-11-30-26(22-44)20-38-33(41-30)40-28-8-3-5-24(17-28)21-43-15-13-42(2)14-16-43/h3-10,17-20H,11-16,21-22H2,1-2H3,(H,39,45)(H,38,40,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 28n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...


US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair