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BDBM148434 US8962637, 165

SMILES: Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(cc3)S(=O)(=O)NC3CC3)ncc2C1

InChI Key: InChIKey=SCDTVQOOFJOJPO-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 148434   
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))
BDBM148434
PNG
(US8962637, 165)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(cc3)S(=O)(=O)NC3CC3)ncc2C1
Show InChI InChI=1S/C31H29F3N6O3S/c1-19-5-6-25(36-29(41)20-3-2-4-22(15-20)31(32,33)34)16-28(19)40-14-13-27-21(18-40)17-35-30(38-27)37-23-9-11-26(12-10-23)44(42,43)39-24-7-8-24/h2-6,9-12,15-17,24,39H,7-8,13-14,18H2,1H3,(H,36,41)(H,35,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/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))
BDBM148434
PNG
(US8962637, 165)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(cc3)S(=O)(=O)NC3CC3)ncc2C1
Show InChI InChI=1S/C31H29F3N6O3S/c1-19-5-6-25(36-29(41)20-3-2-4-22(15-20)31(32,33)34)16-28(19)40-14-13-27-21(18-40)17-35-30(38-27)37-23-9-11-26(12-10-23)44(42,43)39-24-7-8-24/h2-6,9-12,15-17,24,39H,7-8,13-14,18H2,1H3,(H,36,41)(H,35,37,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 54n/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