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BDBM3266 4-Anilino quinazoline deriv. 17::CHEMBL92824::N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

SMILES: FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1

InChI Key: InChIKey=VCOMYMMMFREKQC-UHFFFAOYSA-N

Data: 6 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 3266   
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))
BDBM3266
PNG
(4-Anilino quinazoline deriv. 17 | CHEMBL92824 | N-...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)
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MMDB

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Article
n/an/a 577n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3266
PNG
(4-Anilino quinazoline deriv. 17 | CHEMBL92824 | N-...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 577n/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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM3266
PNG
(4-Anilino quinazoline deriv. 17 | CHEMBL92824 | N-...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)
PDB

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Article
PubMed
n/an/a 940n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation treated 30 mins before Hoechst 33342 addition measured up to...


Bioorg Med Chem 21: 7858-73 (2013)


Article DOI: 10.1016/j.bmc.2013.10.007
BindingDB Entry DOI: 10.7270/Q2TX3GT2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3266
PNG
(4-Anilino quinazoline deriv. 17 | CHEMBL92824 | N-...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)
PDB
MMDB

KEGG

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B.MOAD
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 589n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM3266
PNG
(4-Anilino quinazoline deriv. 17 | CHEMBL92824 | N-...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)
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Article
PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human BCRP expressed in MDCK2 cells assessed as pheophorbide A accumulation treated 30 mins before pheophorbide A addition measured up ...


Bioorg Med Chem 21: 7858-73 (2013)


Article DOI: 10.1016/j.bmc.2013.10.007
BindingDB Entry DOI: 10.7270/Q2TX3GT2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3266
PNG
(4-Anilino quinazoline deriv. 17 | CHEMBL92824 | N-...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 577n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair