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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 = 'BDBM50230421'   
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))
BDBM50230421
PNG
(CHEMBL4060320)
Show SMILES NP(=O)(OCCCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl
Show InChI InChI=1S/C23H29BrCl2N5O3P/c24-18-5-4-6-19(15-18)30-23-21-16-20(7-8-22(21)28-17-29-23)33-13-2-1-3-14-34-35(27,32)31(11-9-25)12-10-26/h4-8,15-17H,1-3,9-14H2,(H2,27,32)(H,28,29,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...


Eur J Med Chem 127: 442-458 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.055
BindingDB Entry DOI: 10.7270/Q2S46V7W
More data for this
Ligand-Target Pair