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SMILES: COCCNC(=O)NCCSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O

InChI Key: InChIKey=JZWZEDACFAQFJW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 494719   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM494719 (N-(6-fluoro-2,3-dihydro-1H-inden- 1-yl)-N''-hydrox...) Show SMILES COCCNC(=O)NCCSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O Show InChI InChI=1S/C18H23FN6O4S/c1-28-8-6-20-18(26)21-7-9-30-17-15(24-29-25-17)16(23-27)22-14-5-3-11-2-4-12(19)10-13(11)14/h2,4,10,14,27H,3,5-9H2,1H3,(H,22,23)(H2,20,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.50E+3	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)
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM494719 (N-(6-fluoro-2,3-dihydro-1H-inden- 1-yl)-N''-hydrox...) Show SMILES COCCNC(=O)NCCSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O Show InChI InChI=1S/C18H23FN6O4S/c1-28-8-6-20-18(26)21-7-9-30-17-15(24-29-25-17)16(23-27)22-14-5-3-11-2-4-12(19)10-13(11)14/h2,4,10,14,27H,3,5-9H2,1H3,(H,22,23)(H2,20,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	66.3	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)
					More data for this Ligand-Target Pair