BDBM783 4-hydroxy-3-(1-phenylbutyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one::5,6,7,8,9,l0-Hexahydro-4-hydroxy-3-(l-phenylbutyl)-W-cycloocta[blpyran-2-one::Cyclooctylpyranone 7

SMILES: CCCC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O

InChI Key: InChIKey=FTLZWVIFFLWQIJ-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 = 783   

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)	BDBM783 (4-hydroxy-3-(1-phenylbutyl)-2H,5H,6H,7H,8H,9H,10H-...) Show SMILES CCCC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C21H26O3/c1-2-10-16(15-11-6-5-7-12-15)19-20(22)17-13-8-3-4-9-14-18(17)24-21(19)23/h5-7,11-12,16,22H,2-4,8-10,13-14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	-10.2	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