BindingDB logo
myBDB logout

null

SMILES: Cc1nc2nc(=O)c3C(C4=C(CC(C)(C)CC4=O)Nc3n2[nH]1)c1ccc(F)cc1

InChI Key: InChIKey=OFSWFDMDKALHPO-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 = 68445   
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
Importin subunit alpha-1


(Homo sapiens (Human))
BDBM68445
PNG
(MLS000084336 | SMR000048725 | cid_667374)
Show SMILES Cc1nc2nc(=O)c3C(C4=C(CC(C)(C)CC4=O)Nc3n2[nH]1)c1ccc(F)cc1 |t:9|
Show InChI InChI=1S/C21H20FN5O2/c1-10-23-20-25-19(29)17-15(11-4-6-12(22)7-5-11)16-13(24-18(17)27(20)26-10)8-21(2,3)9-14(16)28/h4-7,15,24H,8-9H2,1-3H3,(H,23,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.07E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68445
PNG
(MLS000084336 | SMR000048725 | cid_667374)
Show SMILES Cc1nc2nc(=O)c3C(C4=C(CC(C)(C)CC4=O)Nc3n2[nH]1)c1ccc(F)cc1 |t:9|
Show InChI InChI=1S/C21H20FN5O2/c1-10-23-20-25-19(29)17-15(11-4-6-12(22)7-5-11)16-13(24-18(17)27(20)26-10)8-21(2,3)9-14(16)28/h4-7,15,24H,8-9H2,1-3H3,(H,23,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair