Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM494647'   

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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM494647 (US10988487, Example 43) Show SMILES OCCNC(=O)CSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O Show InChI InChI=1S/C16H18FN5O4S/c17-10-3-1-9-2-4-12(11(9)7-10)19-15(20-25)14-16(22-26-21-14)27-8-13(24)18-5-6-23/h1,3,7,12,23,25H,2,4-6,8H2,(H,18,24)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	64.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...				US Patent US10988487 (2021) BindingDB Entry DOI: 10.7270/Q25T3PKG
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