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BDBM50133373 CHEMBL137617::N-(3-bromophenyl)-6-[(1E)-3-methyltriaz-1-enyl]quinazolin-4-amine

SMILES: CN=NNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

InChI Key: InChIKey=MJYHECTVHQNNJE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50133373   
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 erbB1


(Mus musculus)
BDBM50133373
PNG
(CHEMBL137617 | N-(3-bromophenyl)-6-[(1E)-3-methylt...)
Show SMILES CN=NNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C15H13BrN6/c1-17-22-21-12-5-6-14-13(8-12)15(19-9-18-14)20-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,21)(H,18,19,20)
PDB
MMDB

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B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



McGill University Health Center/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor tyrosine kinase (EGFR TK)


J Med Chem 46: 5546-51 (2003)


Article DOI: 10.1021/jm030423m
BindingDB Entry DOI: 10.7270/Q2B857H0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50133373
PNG
(CHEMBL137617 | N-(3-bromophenyl)-6-[(1E)-3-methylt...)
Show SMILES CN=NNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C15H13BrN6/c1-17-22-21-12-5-6-14-13(8-12)15(19-9-18-14)20-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,21)(H,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



McGill University Health Center/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
In vitro inhibition of Epidermal growth factor receptor tyrosine kinase isolated from A431 (human carcinoma).


J Med Chem 46: 4313-21 (2003)


Article DOI: 10.1021/jm030142e
BindingDB Entry DOI: 10.7270/Q2ZC828J
More data for this
Ligand-Target Pair