BDBM50054615 4-Hydroxy-3-(1-phenyl-propyl)-6,6-dipropyl-5,6-dihydro-pyran-2-one::CHEMBL143656

SMILES: CCCC1(CCC)CC(=O)C(C(CC)c2ccccc2)C(=O)O1

InChI Key: InChIKey=IEASYALMIWHTHB-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 = 50054615   

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)	BDBM50054615 (4-Hydroxy-3-(1-phenyl-propyl)-6,6-dipropyl-5,6-dih...) Show SMILES CCCC1(CCC)CC(=O)C(C(CC)c2ccccc2)C(=O)O1 Show InChI InChI=1S/C20H28O3/c1-4-12-20(13-5-2)14-17(21)18(19(22)23-20)16(6-3)15-10-8-7-9-11-15/h7-11,16,18H,4-6,12-14H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description HIV Protease inhibitory activity				J Med Chem 39: 4630-42 (1996) Article DOI: 10.1021/jm960228q BindingDB Entry DOI: 10.7270/Q247490H
					More data for this Ligand-Target Pair