SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 338.3
BDBM50340921

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

Found 7 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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50340921 (CHEMBL1761927 \| N-(4-(6,7-dimethoxyquinazolin-4-yl...) Show SMILES COc1cc2ncnc(Nc3ccc(NC(C)=O)cc3)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France. Curated by ChEMBL					Assay Description Inhibition of recombinant human VEGFR-2-mediated poly(Glu4Tyr) phosphorylation after 1 hr				Bioorg Med Chem Lett 21: 2106-12 (2011) Article DOI: 10.1016/j.bmcl.2011.01.137 BindingDB Entry DOI: 10.7270/Q2C24WRV
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50340921 (CHEMBL1761927 \| N-(4-(6,7-dimethoxyquinazolin-4-yl...) Show SMILES COc1cc2ncnc(Nc3ccc(NC(C)=O)cc3)c2cc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL 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 rat recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate by scintillation counting in presence ...				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))	BDBM50340921 (CHEMBL1761927 \| N-(4-(6,7-dimethoxyquinazolin-4-yl...) Show SMILES COc1cc2ncnc(Nc3ccc(NC(C)=O)cc3)c2cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France. Curated by ChEMBL					Assay Description Inhibition of human EGFR-mediated poly(Glu4Tyr) phosphorylation after 1 hr				Bioorg Med Chem Lett 21: 2106-12 (2011) Article DOI: 10.1016/j.bmcl.2011.01.137 BindingDB Entry DOI: 10.7270/Q2C24WRV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50340921 (CHEMBL1761927 \| N-(4-(6,7-dimethoxyquinazolin-4-yl...) Show SMILES COc1cc2ncnc(Nc3ccc(NC(C)=O)cc3)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50340921 (CHEMBL1761927 \| N-(4-(6,7-dimethoxyquinazolin-4-yl...) Show SMILES COc1cc2ncnc(Nc3ccc(NC(C)=O)cc3)c2cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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 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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50340921 (CHEMBL1761927 \| N-(4-(6,7-dimethoxyquinazolin-4-yl...) Show SMILES COc1cc2ncnc(Nc3ccc(NC(C)=O)cc3)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	7.5	n/a
Universit� Lille Nord de France					Assay Description Kinase assays were performed in 96-well plates (Multiscreen Durapore, Millipore) using [γ-32P]ATP (Amersham Biosciences) and the synthetic polym...				J Enzyme Inhib Med Chem 25: 158-71 (2010) Article DOI: 10.3109/14756360903169485 BindingDB Entry DOI: 10.7270/Q2Z31XJ2
Universit� Lille Nord de France					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50340921 (CHEMBL1761927 \| N-(4-(6,7-dimethoxyquinazolin-4-yl...) Show SMILES COc1cc2ncnc(Nc3ccc(NC(C)=O)cc3)c2cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	7.5	n/a
Universit� Lille Nord de France					Assay Description Kinase assays were performed in 96-well plates (Multiscreen Durapore, Millipore) using [γ-32P]ATP (Amersham Biosciences) and the synthetic polym...				J Enzyme Inhib Med Chem 25: 158-71 (2010) Article DOI: 10.3109/14756360903169485 BindingDB Entry DOI: 10.7270/Q2Z31XJ2
Universit� Lille Nord de France					More data for this Ligand-Target Pair