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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 = 'BDBM50358458'   
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))
BDBM50358458
PNG
(CHEMBL1923013)
Show SMILES OCCNCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C23H21ClF3N5O2/c24-18-13-16(4-5-20(18)34-17-3-1-2-15(12-17)23(25,26)27)31-22-21-19(29-14-30-22)6-9-32(21)10-7-28-8-11-33/h1-6,9,12-14,28,33H,7-8,10-11H2,(H,29,30,31)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...


J Med Chem 54: 8030-50 (2011)


Article DOI: 10.1021/jm2008634
BindingDB Entry DOI: 10.7270/Q23R0T93
More data for this
Ligand-Target Pair