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SMILES: COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC

InChI Key: InChIKey=CBIAKDAYHRWZCU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50248764   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50248764 (2-bromo-4-(6,7-dimethoxyquinazolin-4-ylamino)pheno...) Show SMILES COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Pfizer Global Researchand Development Curated by ChEMBL					Assay Description Inhibition of JAK2				Science 302: 875-878 (2003) Article DOI: 10.1126/science.1087061 BindingDB Entry DOI: 10.7270/Q22Z16FK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50248764 (2-bromo-4-(6,7-dimethoxyquinazolin-4-ylamino)pheno...) Show SMILES COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Pfizer Global Researchand Development Curated by ChEMBL					Assay Description Inhibition of JAK1				Science 302: 875-878 (2003) Article DOI: 10.1126/science.1087061 BindingDB Entry DOI: 10.7270/Q22Z16FK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50248764 (2-bromo-4-(6,7-dimethoxyquinazolin-4-ylamino)pheno...) Show SMILES COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.08E+3	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay				Eur J Med Chem 164: 193-213 (2019) Article DOI: 10.1016/j.ejmech.2018.12.019 BindingDB Entry DOI: 10.7270/Q2MK6HCG
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50248764 (2-bromo-4-(6,7-dimethoxyquinazolin-4-ylamino)pheno...) Show SMILES COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	189	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in MDCK2 cells co-expressing BCRP (unknown origin) assessed as potentiation of SN-38-induced cytotoxic...				Eur J Med Chem 164: 193-213 (2019) Article DOI: 10.1016/j.ejmech.2018.12.019 BindingDB Entry DOI: 10.7270/Q2MK6HCG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50248764 (2-bromo-4-(6,7-dimethoxyquinazolin-4-ylamino)pheno...) Show SMILES COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL) Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				J Med Chem 61: 9811-9840 (2018) Article DOI: 10.1021/acs.jmedchem.8b00294 BindingDB Entry DOI: 10.7270/Q2XK8J7N
					More data for this Ligand-Target Pair