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BDBM3258 4-(Benzylamino)quinazoline deriv. 9::N-[(4-methoxyphenyl)methyl]quinazolin-4-amine::cid_5328015

SMILES: COc1ccc(CNc2ncnc3ccccc23)cc1

InChI Key: InChIKey=MCZPCSYKZMFAHI-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 3258   
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))
BDBM3258
PNG
(4-(Benzylamino)quinazoline deriv. 9 | N-[(4-methox...)
Show SMILES COc1ccc(CNc2ncnc3ccccc23)cc1
Show InChI InChI=1S/C16H15N3O/c1-20-13-8-6-12(7-9-13)10-17-16-14-4-2-3-5-15(14)18-11-19-16/h2-9,11H,10H2,1H3,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/a7.422



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3482-7 (1995)


Article DOI: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM3258
PNG
(4-(Benzylamino)quinazoline deriv. 9 | N-[(4-methox...)
Show SMILES COc1ccc(CNc2ncnc3ccccc23)cc1
Show InChI InChI=1S/C16H15N3O/c1-20-13-8-6-12(7-9-13)10-17-16-14-4-2-3-5-15(14)18-11-19-16/h2-9,11H,10H2,1H3,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM3258
PNG
(4-(Benzylamino)quinazoline deriv. 9 | N-[(4-methox...)
Show SMILES COc1ccc(CNc2ncnc3ccccc23)cc1
Show InChI InChI=1S/C16H15N3O/c1-20-13-8-6-12(7-9-13)10-17-16-14-4-2-3-5-15(14)18-11-19-16/h2-9,11H,10H2,1H3,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair