SMILES String Search

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 311.3
BDBM50291090

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

Found 6 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))	BDBM50291090 ((6,7-Dimethoxy-quinazolin-4-yl)-p-tolyl-amine; hyd...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	250	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
Kinase suppressor of Ras 2 (Human)	BDBM50291090 ((6,7-Dimethoxy-quinazolin-4-yl)-p-tolyl-amine; hyd...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai US Patent					Assay Description The ATP-biotin assay was performed in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 10 mM MgCl2, and 2% DMSO. Purified hKSR2-rMEK1 was assayed at...				US Patent US10548897 (2020) BindingDB Entry DOI: 10.7270/Q25H7JMP
Icahn School of Medicine at Mount Sinai US Patent					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50291090 ((6,7-Dimethoxy-quinazolin-4-yl)-p-tolyl-amine; hyd...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 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
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50291090 ((6,7-Dimethoxy-quinazolin-4-yl)-p-tolyl-amine; hyd...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50291090 ((6,7-Dimethoxy-quinazolin-4-yl)-p-tolyl-amine; hyd...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50291090 ((6,7-Dimethoxy-quinazolin-4-yl)-p-tolyl-amine; hyd...) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 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