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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50215745'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50215745
PNG
(CHEMBL245966 | N-ethyl-5-(2-(3-(6-methoxy-1H-benzo...)
Show SMILES CCNC(=O)c1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 |w:10.9|
Show InChI InChI=1S/C21H20N6O2/c1-3-23-21(28)15-8-13(10-22-11-15)4-5-14-12-24-27-19(14)20-25-17-7-6-16(29-2)9-18(17)26-20/h4-12H,3H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of HER2


Bioorg Med Chem Lett 17: 4557-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.092
BindingDB Entry DOI: 10.7270/Q2DB81JD
More data for this
Ligand-Target Pair