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BDBM50371375 CHEMBL258352

SMILES: CN1CCN(CC1)C(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

InChI Key: InChIKey=IQNBHURYIWAEOA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50371375   
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))
BDBM50371375
PNG
(CHEMBL258352)
Show SMILES CN1CCN(CC1)C(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
Show InChI InChI=1S/C27H27ClN6O3/c1-33-11-13-34(14-12-33)25(35)17-37-24-7-4-6-22-26(24)27(31-18-30-22)32-19-8-9-23(21(28)15-19)36-16-20-5-2-3-10-29-20/h2-10,15,18H,11-14,16-17H2,1H3,(H,30,31,32)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay


Bioorg Med Chem Lett 18: 674-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH
More data for this
Ligand-Target Pair