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 = 'BDBM50208610'   

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))	BDBM50208610 (CHEMBL3883362) Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C23H21N5O4/c1-30-17-11-8-15(9-12-17)23(29)24-19-7-5-4-6-18(19)22-25-27-28(26-22)16-10-13-20(31-2)21(14-16)32-3/h4-14H,1-3H3,(H,24,29)	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	319	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Bonn Curated by ChEMBL					Assay Description Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins follo...				Eur J Med Chem 124: 881-895 (2016) Article DOI: 10.1016/j.ejmech.2016.09.010 BindingDB Entry DOI: 10.7270/Q28P62HT
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