SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 341.3
BDBM50290835

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50290835 ((3,4-Dimethoxy-phenyl)-(6,7-dimethoxy-quinazolin-4...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor autophosphorylation.				Bioorg Med Chem Lett 7: 417-420 (1997) Article DOI: 10.1016/S0960-894X(97)00034-6 BindingDB Entry DOI: 10.7270/Q2J966VN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50290835 ((3,4-Dimethoxy-phenyl)-(6,7-dimethoxy-quinazolin-4...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Proudyogiki Vishwavidyalaya Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-fused CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Bioorg Med Chem 22: 1909-15 (2014) Article DOI: 10.1016/j.bmc.2014.01.044 BindingDB Entry DOI: 10.7270/Q26D5VHK
Rajiv Gandhi Proudyogiki Vishwavidyalaya Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50290835 ((3,4-Dimethoxy-phenyl)-(6,7-dimethoxy-quinazolin-4...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of epidermal growth factor receptor (EGF-R) autophosphorylation in A431 cells				Bioorg Med Chem Lett 7: 2935-2940 (1997) Article DOI: 10.1016/S0960-894X(97)10117-2 BindingDB Entry DOI: 10.7270/Q20Z738R
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50290835 ((3,4-Dimethoxy-phenyl)-(6,7-dimethoxy-quinazolin-4...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/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
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Rattus norvegicus)	BDBM50290835 ((3,4-Dimethoxy-phenyl)-(6,7-dimethoxy-quinazolin-4...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PDGF-BB induced PDGF-B receptor autophosphorylation in rat mesangial cells.				Bioorg Med Chem Lett 7: 2935-2940 (1997) Article DOI: 10.1016/S0960-894X(97)10117-2 BindingDB Entry DOI: 10.7270/Q20Z738R
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50290835 ((3,4-Dimethoxy-phenyl)-(6,7-dimethoxy-quinazolin-4...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.38E+3	n/a	n/a	n/a	n/a	n/a	n/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
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50290835 ((3,4-Dimethoxy-phenyl)-(6,7-dimethoxy-quinazolin-4...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Proudyogiki Vishwavidyalaya Curated by ChEMBL					Assay Description inhibition of human recombinant CDK5/p25 using histone H1 as substrate by scintillation counting in presence of [gamma-33P]ATP				Bioorg Med Chem 22: 1909-15 (2014) Article DOI: 10.1016/j.bmc.2014.01.044 BindingDB Entry DOI: 10.7270/Q26D5VHK
Rajiv Gandhi Proudyogiki Vishwavidyalaya Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50290835 ((3,4-Dimethoxy-phenyl)-(6,7-dimethoxy-quinazolin-4...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase in Jurkat cells where p56lck autophosphorylation is inhibited.				Bioorg Med Chem Lett 7: 417-420 (1997) Article DOI: 10.1016/S0960-894X(97)00034-6 BindingDB Entry DOI: 10.7270/Q2J966VN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair