BDBM50053921 4-Hydroxy-3-(1-phenyl-propyl)-4a,5,6,7,8,9,10,10a-octahydro-cycloocta[b]pyran-2-one::CHEMBL423528

SMILES: CCC(C1C(=O)OC2CCCCCCC2C1=O)c1ccccc1

InChI Key: InChIKey=MXGOVMFGYRFBBL-UHFFFAOYSA-N

Data: 1 KI

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 = 50053921   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50053921 (4-Hydroxy-3-(1-phenyl-propyl)-4a,5,6,7,8,9,10,10a-...) Show SMILES CCC(C1C(=O)OC2CCCCCCC2C1=O)c1ccccc1 Show InChI InChI=1S/C20H26O3/c1-2-15(14-10-6-5-7-11-14)18-19(21)16-12-8-3-4-9-13-17(16)23-20(18)22/h5-7,10-11,15-18H,2-4,8-9,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity of the compound towards HIV protease was determined				J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB
					More data for this Ligand-Target Pair