BDBM50248464 CHEMBL491677::N-[4-(isoindolin-2-yl)phenyl]-6',7'-dimethoxyquinazolin-4'-amine

SMILES: COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC

InChI Key: InChIKey=YDFSDWFVXLJPNL-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50248464   

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
Aurora kinase B (Homo sapiens (Human))	BDBM50248464 (CHEMBL491677 | N-[4-(isoindolin-2-yl)phenyl]-6',7'...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC Show InChI InChI=1S/C24H22N4O2/c1-29-22-11-20-21(12-23(22)30-2)25-15-26-24(20)27-18-7-9-19(10-8-18)28-13-16-5-3-4-6-17(16)14-28/h3-12,15H,13-14H2,1-2H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora B by virtual HTS assay				Bioorg Med Chem Lett 19: 1349-56 (2009) Article DOI: 10.1016/j.bmcl.2009.01.054 BindingDB Entry DOI: 10.7270/Q2736QS3
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50248464 (CHEMBL491677 | N-[4-(isoindolin-2-yl)phenyl]-6',7'...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC Show InChI InChI=1S/C24H22N4O2/c1-29-22-11-20-21(12-23(22)30-2)25-15-26-24(20)27-18-7-9-19(10-8-18)28-13-16-5-3-4-6-17(16)14-28/h3-12,15H,13-14H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of insulin receptor by virtual HTS assay				Bioorg Med Chem Lett 19: 1349-56 (2009) Article DOI: 10.1016/j.bmcl.2009.01.054 BindingDB Entry DOI: 10.7270/Q2736QS3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50248464 (CHEMBL491677 | N-[4-(isoindolin-2-yl)phenyl]-6',7'...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC Show InChI InChI=1S/C24H22N4O2/c1-29-22-11-20-21(12-23(22)30-2)25-15-26-24(20)27-18-7-9-19(10-8-18)28-13-16-5-3-4-6-17(16)14-28/h3-12,15H,13-14H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora A by virtual HTS assay				Bioorg Med Chem Lett 19: 1349-56 (2009) Article DOI: 10.1016/j.bmcl.2009.01.054 BindingDB Entry DOI: 10.7270/Q2736QS3
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50248464 (CHEMBL491677 | N-[4-(isoindolin-2-yl)phenyl]-6',7'...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC Show InChI InChI=1S/C24H22N4O2/c1-29-22-11-20-21(12-23(22)30-2)25-15-26-24(20)27-18-7-9-19(10-8-18)28-13-16-5-3-4-6-17(16)14-28/h3-12,15H,13-14H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of IGF1R by virtual HTS assay				Bioorg Med Chem Lett 19: 1349-56 (2009) Article DOI: 10.1016/j.bmcl.2009.01.054 BindingDB Entry DOI: 10.7270/Q2736QS3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50248464 (CHEMBL491677 | N-[4-(isoindolin-2-yl)phenyl]-6',7'...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC Show InChI InChI=1S/C24H22N4O2/c1-29-22-11-20-21(12-23(22)30-2)25-15-26-24(20)27-18-7-9-19(10-8-18)28-13-16-5-3-4-6-17(16)14-28/h3-12,15H,13-14H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of CDK4 by virtual HTS assay				Bioorg Med Chem Lett 19: 1349-56 (2009) Article DOI: 10.1016/j.bmcl.2009.01.054 BindingDB Entry DOI: 10.7270/Q2736QS3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50248464 (CHEMBL491677 | N-[4-(isoindolin-2-yl)phenyl]-6',7'...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC Show InChI InChI=1S/C24H22N4O2/c1-29-22-11-20-21(12-23(22)30-2)25-15-26-24(20)27-18-7-9-19(10-8-18)28-13-16-5-3-4-6-17(16)14-28/h3-12,15H,13-14H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of EGFR by virtual HTS assay				Bioorg Med Chem Lett 19: 1349-56 (2009) Article DOI: 10.1016/j.bmcl.2009.01.054 BindingDB Entry DOI: 10.7270/Q2736QS3
					More data for this Ligand-Target Pair