BDBM494838 N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,5- trien-7-yl]-N'-hydroxy-4-{[1- (methoxyacetyl)azetidin-3- yl]sulfanyl}-1,2,5- oxadiazole-3-carboximidamide::US10988487, Example 234

SMILES: COCC(=O)N1CC(C1)Sc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O

InChI Key: InChIKey=AERDMAOLHIKOFO-ZDUSSCGKSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 494838   

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))	BDBM494838 (N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,5- trien-7...) Show SMILES COCC(=O)N1CC(C1)Sc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r| Show InChI InChI=1S/C17H18FN5O4S/c1-26-8-14(24)23-6-11(7-23)28-17-15(21-27-22-17)16(20-25)19-13-4-9-2-3-10(18)5-12(9)13/h2-3,5,11,13,25H,4,6-8H2,1H3,(H,19,20)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.4	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)
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