Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Broad substrate specificity ATP-binding cassette transporter ABCG2' and Ligand = 'BDBM50293020'   

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))	BDBM50293020 (CHEMBL453516 | N-(3-((4-(2-(6,7-Dimethoxy-1,2,3,4-...) Show SMILES COc1cc(NC(=O)c2cnc3ccccc3c2)cc(c1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C37H36N4O5/c1-44-32-18-27(17-31(21-32)40-37(43)28-16-26-6-4-5-7-33(26)38-22-28)36(42)39-30-10-8-24(9-11-30)12-14-41-15-13-25-19-34(45-2)35(46-3)20-29(25)23-41/h4-11,16-22H,12-15,23H2,1-3H3,(H,39,42)(H,40,43)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	977	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of ABCG2 overexpressed in human MCF7/Topo cells by flow cytometric-based mitoxantrone efflux assay				J Med Chem 52: 1190-7 (2009) Article DOI: 10.1021/jm8013822 BindingDB Entry DOI: 10.7270/Q2VH5PQ4
					More data for this Ligand-Target Pair