BDBM50054621 7-Benzyl-4-hydroxy-3-(1-phenyl-allyl)-1-oxa-spiro[5.5]undec-3-en-2-one::CHEMBL336000

SMILES: C=CC(C1C(=O)CC2(CCCCC2Cc2ccccc2)OC1=O)c1ccccc1

InChI Key: InChIKey=LBWLQGVPLIAHKC-UHFFFAOYSA-N

Data: 1 IC50

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 = 50054621   

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)	BDBM50054621 (7-Benzyl-4-hydroxy-3-(1-phenyl-allyl)-1-oxa-spiro[...) Show SMILES C=CC(C1C(=O)CC2(CCCCC2Cc2ccccc2)OC1=O)c1ccccc1 Show InChI InChI=1S/C26H28O3/c1-2-22(20-13-7-4-8-14-20)24-23(27)18-26(29-25(24)28)16-10-9-15-21(26)17-19-11-5-3-6-12-19/h2-8,11-14,21-22,24H,1,9-10,15-18H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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