new BindingDB logo
myBDB logout

BDBM50385926 CHEMBL2042138

SMILES: COc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1

InChI Key: InChIKey=GWPGDICAWPUGDP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50385926   
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
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50385926
PNG
(CHEMBL2042138)
Show SMILES COc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1
Show InChI InChI=1S/C20H22N4O2S/c1-24(2)10-12-6-18(27-11-12)14-7-16(19(21)23-9-14)13-4-5-15(20(22)25)17(8-13)26-3/h4-9,11H,10H2,1-3H3,(H2,21,23)(H2,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.26E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method


J Med Chem 55: 3228-41 (2012)


Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F
More data for this
Ligand-Target Pair