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 = 'BDBM50338968'   

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))	BDBM50338968 ((+/-)-5-hydroxy-7-methoxyflavanone | (-)-pinostrob...) Show SMILES COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 |r| Show InChI InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50338968 ((+/-)-5-hydroxy-7-methoxyflavanone | (-)-pinostrob...) Show SMILES COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 |r| Show InChI InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+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