BDBM792 4-hydroxy-3-(3-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one::Cyclooctylpyranone 15

SMILES: Oc1c(CCCc2ccccc2)c(=O)oc2CCCCCCc12

InChI Key: InChIKey=FFDSQYPZHOARRP-UHFFFAOYSA-N

Data: 1 Other

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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 = 792   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM792 (4-hydroxy-3-(3-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H...) Show SMILES Oc1c(CCCc2ccccc2)c(=O)oc2CCCCCCc12 Show InChI InChI=1S/C20H24O3/c21-19-16-12-6-1-2-7-14-18(16)23-20(22)17(19)13-8-11-15-9-4-3-5-10-15/h3-5,9-10,21H,1-2,6-8,11-14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair