BDBM494697 N-cyclopropyl-2-((4-(N-(4- fluorobicyclo[4.2.0]octa-1(6),2,4-trien- 7-yl)-N''-hydroxycarbamimidoyl)- 1,2,5-oxadiazol-3-yl)thio)acetamide (peak 1)::US10988487, Example 93::US10988487, Example 94

SMILES: O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1SCC(=O)NC1CC1

InChI Key: InChIKey=AWTBYPYCUZMVQL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 494697   

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))	BDBM494697 (N-cyclopropyl-2-((4-(N-(4- fluorobicyclo[4.2.0]oct...) Show SMILES O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1SCC(=O)NC1CC1 Show InChI InChI=1S/C16H16FN5O3S/c17-9-2-1-8-5-12(11(8)6-9)19-15(20-24)14-16(22-25-21-14)26-7-13(23)18-10-3-4-10/h1-2,6,10,12,24H,3-5,7H2,(H,18,23)(H,19,20)	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	2.76E+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))	BDBM494697 (N-cyclopropyl-2-((4-(N-(4- fluorobicyclo[4.2.0]oct...) Show SMILES O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1SCC(=O)NC1CC1 Show InChI InChI=1S/C16H16FN5O3S/c17-9-2-1-8-5-12(11(8)6-9)19-15(20-24)14-16(22-25-21-14)26-7-13(23)18-10-3-4-10/h1-2,6,10,12,24H,3-5,7H2,(H,18,23)(H,19,20)	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	59	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