Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug and toxin extrusion protein 1' and Ligand = 'BDBM50028893'   

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
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human))	BDBM50028893 (4-(diisopropylamino)-2-phenyl-2-pyridin-2-ylbutana...) Show SMILES CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C Show InChI InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of human MATE1 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay				J Med Chem 54: 4548-58 (2011) Article DOI: 10.1021/jm2001629 BindingDB Entry DOI: 10.7270/Q26W9C5N
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