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 = 'BDBM50338971'   

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))	BDBM50338971 (CHEMBL1685067 | Strobopinin-7-methylether) Show SMILES COc1cc2OC(CC(=O)c2c(O)c1C)c1ccccc1 Show InChI InChI=1S/C17H16O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-7,9,14,19H,8H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	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 using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50338971 (CHEMBL1685067 | Strobopinin-7-methylether) Show SMILES COc1cc2OC(CC(=O)c2c(O)c1C)c1ccccc1 Show InChI InChI=1S/C17H16O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-7,9,14,19H,8H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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 MCF-7 MX cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair