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BDBM148382 US8962637, 107

SMILES: Cc1ccc(NC(=O)N2CCCCC2)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1

InChI Key: InChIKey=VOURYMYVBGIOOG-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 = 148382   
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))
BDBM148382
PNG
(US8962637, 107)
Show SMILES Cc1ccc(NC(=O)N2CCCCC2)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1
Show InChI InChI=1S/C32H41N7O2/c1-24-7-8-27(35-32(40)38-16-3-2-4-17-38)21-30(24)39-18-13-29-25(23-39)22-33-31(36-29)34-26-9-11-28(12-10-26)41-20-19-37-14-5-6-15-37/h7-12,21-22H,2-6,13-20,23H2,1H3,(H,35,40)(H,33,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1n/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))
BDBM148382
PNG
(US8962637, 107)
Show SMILES Cc1ccc(NC(=O)N2CCCCC2)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1
Show InChI InChI=1S/C32H41N7O2/c1-24-7-8-27(35-32(40)38-16-3-2-4-17-38)21-30(24)39-18-13-29-25(23-39)22-33-31(36-29)34-26-9-11-28(12-10-26)41-20-19-37-14-5-6-15-37/h7-12,21-22H,2-6,13-20,23H2,1H3,(H,35,40)(H,33,34,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 40n/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