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BDBM50427234 CHEMBL2325096

SMILES: Fc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1

InChI Key: InChIKey=HZSFWOABFOFUGI-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 = 50427234   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427234
PNG
(CHEMBL2325096)
Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19FN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427234
PNG
(CHEMBL2325096)
Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19FN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.01E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair