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SMILES: CNC(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1

InChI Key: InChIKey=JLPAYKSYUUUWDC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 148358   
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))
BDBM148358
PNG
(US8962637, 83)
Show SMILES CNC(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C29H26F3N7O2/c1-17-6-7-21(36-26(40)18-4-3-5-20(12-18)29(30,31)32)13-25(17)39-11-10-23-19(16-39)14-35-28(38-23)37-22-8-9-24(34-15-22)27(41)33-2/h3-9,12-15H,10-11,16H2,1-2H3,(H,33,41)(H,36,40)(H,35,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 4n/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))
BDBM148358
PNG
(US8962637, 83)
Show SMILES CNC(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C29H26F3N7O2/c1-17-6-7-21(36-26(40)18-4-3-5-20(12-18)29(30,31)32)13-25(17)39-11-10-23-19(16-39)14-35-28(38-23)37-22-8-9-24(34-15-22)27(41)33-2/h3-9,12-15H,10-11,16H2,1-2H3,(H,33,41)(H,36,40)(H,35,37,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 32n/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