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BDBM50171514 2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-quinazolin-6-yl]-acetamide::CHEMBL275762

SMILES: Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12

InChI Key: InChIKey=VBXDUSMRNQVJRO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50171514   
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))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 5-25 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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Article
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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PubMed
n/an/a 15n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of HER1 kinase in intact DHER14 cells; Range = 5-15 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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n/an/a 50n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of HER2 kinase in intact CSH12 cells; Range = 25-50 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
PDB

Reactome pathway
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of human PDGFR kinase in intact NIHPDGFR cells


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 25-50 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair