BDBM784 4-hydroxy-3-(2-methyl-1-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one::5,6,7,8,9,1O-Hexahydro-4-hydroxy-3-(2-methyl-nylpropyl)-W-cycloocta[b]pyran-2-one::Cyclooctylpyranone 8

SMILES: CC(C)C(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O

InChI Key: InChIKey=SHPVIVQZNPRWJX-UHFFFAOYSA-N

Data: 1 KI

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 784   

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)	BDBM784 (4-hydroxy-3-(2-methyl-1-phenylpropyl)-2H,5H,6H,7H,...) Show SMILES CC(C)C(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C21H26O3/c1-14(2)18(15-10-6-5-7-11-15)19-20(22)16-12-8-3-4-9-13-17(16)24-21(19)23/h5-7,10-11,14,18,22H,3-4,8-9,12-13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	-10.3	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