BindingDB logo
myBDB logout

null

SMILES: CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1

InChI Key: InChIKey=OOVTWDNYKGHGHW-UHFFFAOYSA-N

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 = 148367   
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))
BDBM148367
PNG
(US8962637, 92)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1
Show InChI InChI=1S/C35H36F3N7O2/c1-22-6-9-29(41-33(47)24-4-3-5-26(18-24)35(36,37)38)19-31(22)45-17-14-30-25(21-45)20-39-34(43-30)42-27-10-7-23(8-11-27)32(46)40-28-12-15-44(2)16-13-28/h3-11,18-20,28H,12-17,21H2,1-2H3,(H,40,46)(H,41,47)(H,39,42,43)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/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))
BDBM148367
PNG
(US8962637, 92)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1
Show InChI InChI=1S/C35H36F3N7O2/c1-22-6-9-29(41-33(47)24-4-3-5-26(18-24)35(36,37)38)19-31(22)45-17-14-30-25(21-45)20-39-34(43-30)42-27-10-7-23(8-11-27)32(46)40-28-12-15-44(2)16-13-28/h3-11,18-20,28H,12-17,21H2,1-2H3,(H,40,46)(H,41,47)(H,39,42,43)
PDB

Reactome pathway
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