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SMILES: CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN(CC)CC)c(OC)cc34)ccc2s1

InChI Key: InChIKey=KHQLZJIASNWTGK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320831   
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))		BDBM50320831
PNG
(CHEMBL1165468 | Ethyl 5-(7-(3-(diethylamino)propox...)
Show SMILES CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN(CC)CC)c(OC)cc34)ccc2s1
Show InChI InChI=1S/C27H32N4O4S/c1-5-31(6-2)11-8-12-35-23-16-21-20(15-22(23)33-4)26(29-17-28-21)30-19-9-10-24-18(13-19)14-25(36-24)27(32)34-7-3/h9-10,13-17H,5-8,11-12H2,1-4H3,(H,28,29,30)
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PC cid
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Similars
Article
PubMed
n/an/a 2.29E+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