BindingDB PrimarySearch

BDBM3530 6,7-dimethoxy-N-phenylquinazolin-4-amine::CHEMBL542484::CHEMBL94191::PD153035 Analog 29

SMILES: COc1cc2ncnc(Nc3ccccc3)c2cc1OC

InChI Key: InChIKey=MJKCGAHOCZLYDG-UHFFFAOYSA-N

Data: 13 IC50

PDB links: 5 PDB IDs contain this monomer as substructures. 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 3530
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	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	29	n/a	n/a	n/a	n/a	n/a	n/a
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
Parke-Davis Pharmaceutical Research					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	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	5.10E+3	n/a	n/a	n/a	n/a	7.6	22
Hebrew University of Jerusalem					Assay Description The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.				Bioorg Med Chem 4: 1203-7 (1996) Article DOI: 10.1016/0968-0896(96)00107-1 BindingDB Entry DOI: 10.7270/Q2BC3WR8
Hebrew University of Jerusalem					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	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
University of Zurich Curated by ChEMBL					Assay Description Inhibition of EGFR				J Med Chem 51: 1179-88 (2008) Article DOI: 10.1021/jm070654j BindingDB Entry DOI: 10.7270/Q29Z95RD
University of Zurich Curated by ChEMBL					More data for this Ligand-Target Pair
Macrophage colony stimulating factor receptor (Homo sapiens (Human))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)				Bioorg Med Chem Lett 7: 421-424 (1997) Article DOI: 10.1016/S0960-894X(97)00035-8 BindingDB Entry DOI: 10.7270/Q2SB45RN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism towards Epidermal growth factor receptor				Bioorg Med Chem Lett 7: 421-424 (1997) Article DOI: 10.1016/S0960-894X(97)00035-8 BindingDB Entry DOI: 10.7270/Q2SB45RN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	PDB MMDB KEGG 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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of N-terminal GST fused human RET (658 to 1114 amino acid residue) using CSKtide as substrate expressed in baculovirus preincubated for 15...				Bioorg Med Chem Lett 26: 2724-9 (2016) Article DOI: 10.1016/j.bmcl.2016.03.100 BindingDB Entry DOI: 10.7270/Q2WM1G93
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)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 Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of recombinant human VEGFR-2 using poly(Glu4/Tyr) and [gamma32P]ATP as substrate after 1 hr by scintillation counting				J Med Chem 55: 1189-204 (2012) Article DOI: 10.1021/jm2013453 BindingDB Entry DOI: 10.7270/Q2086695
Univ. Lille Nord de France Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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 p56lck kinase autophosphorylation in Jurkat cells				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 tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	PDB UniProtKB/SwissProt 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
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 (CDK5) (Homo sapiens (Human))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	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	201	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using biotinylated-PTP1B (Tyr66) as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Eur J Med Chem 61: 84-94 (2013) Article DOI: 10.1016/j.ejmech.2012.07.036 BindingDB Entry DOI: 10.7270/Q2X068CH
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	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	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human EGFR expressed in human A431 cells using poly(Glu4/Tyr) and [gamma32P]ATP as substrate after 1 hr by scintillation counting				J Med Chem 55: 1189-204 (2012) Article DOI: 10.1021/jm2013453 BindingDB Entry DOI: 10.7270/Q2086695
Univ. Lille Nord de France Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3530 (6,7-dimethoxy-N-phenylquinazolin-4-amine \| CHEMBL5...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	50	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