Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Broad substrate specificity ATP-binding cassette transporter ABCG2' and Ligand = 'BDBM50241466'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50241466 (2-Amino-N-{4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)e...) Show SMILES Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C24H25N3O/c25-23-8-4-3-7-22(23)24(28)26-21-11-9-18(10-12-21)13-15-27-16-14-19-5-1-2-6-20(19)17-27/h1-12H,13-17,25H2,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay				Bioorg Med Chem Lett 20: 180-3 (2010) Article DOI: 10.1016/j.bmcl.2009.11.004 BindingDB Entry DOI: 10.7270/Q2G73DT7
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50241466 (2-Amino-N-{4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)e...) Show SMILES Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C24H25N3O/c25-23-8-4-3-7-22(23)24(28)26-21-11-9-18(10-12-21)13-15-27-16-14-19-5-1-2-6-20(19)17-27/h1-12H,13-17,25H2,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay				Bioorg Med Chem Lett 20: 180-3 (2010) Article DOI: 10.1016/j.bmcl.2009.11.004 BindingDB Entry DOI: 10.7270/Q2G73DT7
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50241466 (2-Amino-N-{4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)e...) Show SMILES Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C24H25N3O/c25-23-8-4-3-7-22(23)24(28)26-21-11-9-18(10-12-21)13-15-27-16-14-19-5-1-2-6-20(19)17-27/h1-12H,13-17,25H2,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay				Bioorg Med Chem 16: 8224-36 (2008) Article DOI: 10.1016/j.bmc.2008.07.034 BindingDB Entry DOI: 10.7270/Q2765GK5
					More data for this Ligand-Target Pair