BDBM3294 4-Anilinoquinazoline deriv. 45::4-N-(3-bromophenyl)quinazoline-4,6-diamine::Anilinoquinazoline, 4b::CHEMBL52765
SMILES: Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChI Key: InChIKey=IZQHULBHKPGOAP-UHFFFAOYSA-N
Data: 15 IC50
PDB links: 2 PDB IDs contain this monomer as substructures. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma Curated by ChEMBL | Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated for 1 hr followed by compound washout measured after 8 hrs by Western ... | Bioorg Med Chem Lett 23: 5290-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.008 BindingDB Entry DOI: 10.7270/Q24Q7XX1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | 37 |
McGill University/Royal Victoria Hospital | Assay Description EGFR kinase assay was perform using Nunc MaxiSorp purchased from Nalge Nunc Interantional. | Chem Biol Drug Des 71: 374-9 (2008) Article DOI: 10.1111/j.1747-0285.2008.00638.x BindingDB Entry DOI: 10.7270/Q29P303S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Epidermal growth factor receptor erbB1 (Mus musculus) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University/Royal Victoria Hospital Curated by ChEMBL | Assay Description Inhibition of poly(L-glutamic acid-L-tyrosine) phosphorylation by EGFR tyrosine kinase of A431 carcinoma cells | Bioorg Med Chem Lett 15: 1135-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.015 BindingDB Entry DOI: 10.7270/Q21Z43XF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL | Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs | J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL | Assay Description Inhibition of EGFR tyrosine kinase | J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna Curated by ChEMBL | Assay Description Inhibition of EGFR-TK in human A431 cell lysate assessed as reduction in EGF stimulated kinase activity after 60 mins using biotinylated peptide subs... | Eur J Med Chem 117: 283-91 (2016) BindingDB Entry DOI: 10.7270/Q2V126QC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma Curated by ChEMBL | Assay Description Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot | J Med Chem 53: 2038-50 (2010) Article DOI: 10.1021/jm901558p BindingDB Entry DOI: 10.7270/Q2736R1N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma Curated by ChEMBL | Assay Description Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot | J Med Chem 53: 2038-50 (2010) Article DOI: 10.1021/jm901558p BindingDB Entry DOI: 10.7270/Q2736R1N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University Curated by ChEMBL | Assay Description Inhibition of recombinant EGFR expressed in baculovirus infected Sf9 cells after 1 hr by DELFIA/time-resolved fluorometry assay | Bioorg Med Chem 19: 5012-22 (2011) Article DOI: 10.1016/j.bmc.2011.06.044 BindingDB Entry DOI: 10.7270/Q2125T1W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of EGFR after 50 mins by HTRF assay | Eur J Med Chem 49: 271-8 (2012) Article DOI: 10.1016/j.ejmech.2012.01.021 BindingDB Entry DOI: 10.7270/Q2FB53DM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma Curated by ChEMBL | Assay Description Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated for 1 hr followed by compound washout measured at 1 hr by Western blot... | Bioorg Med Chem Lett 23: 5290-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.008 BindingDB Entry DOI: 10.7270/Q24Q7XX1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
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 |