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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 = 'BDBM50077232'   
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))
BDBM50077232
PNG
(CHEMBL430571 | N-[4-(4-Benzyloxy-phenylamino)-quin...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C24H20N4O2/c1-2-23(29)27-19-10-13-22-21(14-19)24(26-16-25-22)28-18-8-11-20(12-9-18)30-15-17-6-4-3-5-7-17/h2-14,16H,1,15H2,(H,27,29)(H,25,26,28)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of heregulin-stimulated autophosphorylation of ERBB2 receptor kinase in MDA-MB-453 cells.


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair