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Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM3556'   
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))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 215n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
More data for this
Ligand-Target Pair