Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Broad substrate specificity ATP-binding cassette transporter ABCG2' and Ligand = 'BDBM50248989'   

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))	BDBM50248989 (1-(2-Aminophenyl)-3-(4-(2-(3,4-dihydroisoquinolin-...) Show SMILES Nc1ccccc1NC(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C24H26N4O/c25-22-7-3-4-8-23(22)27-24(29)26-21-11-9-18(10-12-21)13-15-28-16-14-19-5-1-2-6-20(19)17-28/h1-12H,13-17,25H2,(H2,26,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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))	BDBM50248989 (1-(2-Aminophenyl)-3-(4-(2-(3,4-dihydroisoquinolin-...) Show SMILES Nc1ccccc1NC(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C24H26N4O/c25-22-7-3-4-8-23(22)27-24(29)26-21-11-9-18(10-12-21)13-15-28-16-14-19-5-1-2-6-20(19)17-28/h1-12H,13-17,25H2,(H2,26,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+5	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