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BDBM10139 3-[9-fluoro-3-oxo-5-(1H-pyrrol-2-yl)-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaen-7-yl]propanenitrile::trisubstituted naphthostyril analogue 4e

SMILES: Fc1ccc2NC(=O)c3c(cc(CCC#N)c1c23)-c1ccc[nH]1

InChI Key: InChIKey=PJIZRNLSHFUIAW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10139   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM10139
PNG
(3-[9-fluoro-3-oxo-5-(1H-pyrrol-2-yl)-2-azatricyclo...)
Show SMILES Fc1ccc2NC(=O)c3c(cc(CCC#N)c1c23)-c1ccc[nH]1
Show InChI InChI=1S/C18H12FN3O/c19-12-5-6-14-17-15(12)10(3-1-7-20)9-11(13-4-2-8-21-13)16(17)18(23)22-14/h2,4-6,8-9,21H,1,3H2,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/j.bmc.2006.10.050
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair