Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50324375'   

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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50324375 (3-Butoxy-4-phenylsulfonylfurazan | CHEMBL1215714) Show SMILES CCCCOc1nonc1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C12H14N2O4S/c1-2-3-9-17-11-12(14-18-13-11)19(15,16)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.97E+4	n/a	n/a	n/a	n/a
Universita degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of MDR1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay				J Med Chem 53: 5467-75 (2010) Article DOI: 10.1021/jm100066y BindingDB Entry DOI: 10.7270/Q2JH3MC8
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