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SMILES: CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN5CCC(C)CC5)c(OC)cc34)ccc2s1

InChI Key: InChIKey=PWNGBUXSARZEQM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320832   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50320832
PNG
(CHEMBL1163749 | Ethyl 5-(6-methoxy-7-(3-(4-methylp...)
Show SMILES CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN5CCC(C)CC5)c(OC)cc34)ccc2s1
Show InChI InChI=1S/C29H34N4O4S/c1-4-36-29(34)27-15-20-14-21(6-7-26(20)38-27)32-28-22-16-24(35-3)25(17-23(22)30-18-31-28)37-13-5-10-33-11-8-19(2)9-12-33/h6-7,14-19H,4-5,8-13H2,1-3H3,(H,30,31,32)
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Similars
Article
PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2

Bioorg Med Chem 18: 3812-22 (2010)


Article DOI: 10.1016/j.bmc.2010.04.046
BindingDB Entry DOI: 10.7270/Q2P26Z9D
More data for this
Ligand-Target Pair