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.

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 15 hits for monomerid = 3294   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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