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 = 'BDBM50321558'   

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))	BDBM50321558 (6-methoxycomaparvin | CHEMBL401565) Show SMILES CCCc1cc(=O)c2c(O)c(OC)c3cc(O)cc(OC)c3c2o1 Show InChI InChI=1S/C18H18O6/c1-4-5-10-8-12(20)15-16(21)17(23-3)11-6-9(19)7-13(22-2)14(11)18(15)24-10/h6-8,19,21H,4-5H2,1-3H3	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells				Bioorg Med Chem Lett 20: 3848-50 (2010) Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5
					More data for this Ligand-Target Pair