BDBM11308 3-[(furan-2-ylmethyl)amino]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile::Compound 2 analog 19

SMILES: CC1(C)Cc2c(sc(NCc3ccco3)c2C(=O)C1)C#N

InChI Key: InChIKey=OELFRKXRVLKMSJ-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11308   

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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11308 (3-[(furan-2-ylmethyl)amino]-6,6-dimethyl-4-oxo-4,5...) Show SMILES CC1(C)Cc2c(sc(NCc3ccco3)c2C(=O)C1)C#N Show InChI InChI=1S/C16H16N2O2S/c1-16(2)6-11-13(8-17)21-15(14(11)12(19)7-16)18-9-10-4-3-5-20-10/h3-5,18H,6-7,9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center					Assay Description The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...				J Med Chem 49: 5154-61 (2006) Article DOI: 10.1021/jm060207o BindingDB Entry DOI: 10.7270/Q2M906V0
					More data for this Ligand-Target Pair