BDBM50248414 CHEMBL522785::N4-(3-(benzo[d]thiazol-2-yl)phenyl)-6,7-dimethoxy-N2-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine

SMILES: COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC

InChI Key: InChIKey=GEPKFPGFWUHVLZ-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50248414   

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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50248414 (CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...) Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)	PDB 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 VEGFR3 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))	BDBM50248414 (CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...) Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	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))	BDBM50248414 (CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...) Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 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
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50248414 (CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...) Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta 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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50248414 (CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...) Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	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
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50248414 (CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...) Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)	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	780	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
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM50248414 (CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...) Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)	PDB MMDB 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 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))	BDBM50248414 (CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...) Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50248414 (CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...) Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)	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	1.90E+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
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50248414 (CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...) Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)	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	810	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))	BDBM50248414 (CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...) Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)	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	5.50E+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