Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug and toxin extrusion protein 1' and Ligand = 'BDBM50519637'   

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))	BDBM50519637 (CHEMBL4550375) Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2[C@H](O)[C@@H](O)C=Cc2c1 |r,c:24| Show InChI InChI=1S/C19H17NO5S/c1-2-26(23,24)13-5-8-17-15(10-13)20-19(25-17)12-3-6-14-11(9-12)4-7-16(21)18(14)22/h3-10,16,18,21-22H,2H2,1H3/t16-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of MATE1 (unknown origin)				J Med Chem 63: 2547-2556 (2020) Article DOI: 10.1021/acs.jmedchem.9b01547 BindingDB Entry DOI: 10.7270/Q24B34P2
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