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BDBM50256023 CHEMBL480348::N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(5-((ethylamino)methyl)-1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine

SMILES: CCNCc1ccc([nH]1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1

InChI Key: InChIKey=OORGVIGRGYYYEO-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50256023   
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))
BDBM50256023
PNG
(CHEMBL480348 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES CCNCc1ccc([nH]1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C26H23ClFN5OS/c1-2-29-13-19-6-8-22(32-19)24-12-20-25(30-15-31-26(20)35-24)33-18-7-9-23(21(27)11-18)34-14-16-4-3-5-17(28)10-16/h3-12,15,29,32H,2,13-14H2,1H3,(H,30,31,33)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 111n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256023
PNG
(CHEMBL480348 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES CCNCc1ccc([nH]1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C26H23ClFN5OS/c1-2-29-13-19-6-8-22(32-19)24-12-20-25(30-15-31-26(20)35-24)33-18-7-9-23(21(27)11-18)34-14-16-4-3-5-17(28)10-16/h3-12,15,29,32H,2,13-14H2,1H3,(H,30,31,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 121n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair