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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 = 'BDBM50161948'   
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))		BDBM50161948
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(n...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)13-8-16-41(2)3)35(25(20-37)21-38-30)39-26-14-15-32(29(36)17-26)44-22-24-11-7-10-23-9-5-6-12-27(23)24/h5-15,17-19,21H,4,16,22H2,1-3H3,(H,38,39)(H,40,42)/b13-8+
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation

J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair