BDBM3261 4-Anilino quinazoline deriv. 12::N-(3-methoxyphenyl)quinazolin-4-amine

SMILES: COc1cccc(Nc2ncnc3ccccc23)c1

InChI Key: InChIKey=LCYPRFCDTJTQPG-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains 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 2 hits for monomerid = 3261   

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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM3261 (4-Anilino quinazoline deriv. 12 | N-(3-methoxyphen...) Show SMILES COc1cccc(Nc2ncnc3ccccc23)c1 Show InChI InChI=1S/C15H13N3O/c1-19-12-6-4-5-11(9-12)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	645	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins followed by Hoechst 3334...				Eur J Med Chem 161: 506-525 (2019) Article DOI: 10.1016/j.ejmech.2018.10.026
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3261 (4-Anilino quinazoline deriv. 12 | N-(3-methoxyphen...) Show SMILES COc1cccc(Nc2ncnc3ccccc23)c1 Show InChI InChI=1S/C15H13N3O/c1-19-12-6-4-5-11(9-12)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	842	n/a	n/a	n/a	n/a	7.4	22
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