BDBM50248294 CHEMBL514942::N-(4-(benzo[d]thiazol-2-yl)-2-methylphenyl)-6,7-dimethoxyquinazolin-4-amine

SMILES: COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC

InChI Key: InChIKey=ILOAUSWXRCKWFH-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 50248294   

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
Insulin receptor (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	>1.00E+4	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 B (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	3.70E+3	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
Aurora kinase B (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora-B by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	>1.00E+4	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
Aurora kinase A (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	4.40E+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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of VEGFR2 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))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	240	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of wild type EGF-R by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Src 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
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	840	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of TIE2 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))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	240	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
Aurora kinase A (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	4.40E+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 microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of VEGFR2 by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(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	840	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of TIE2 by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50248294 (CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(H,25,26,27)	PDB MMDB 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of EphB4 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