BDBM2525 6-Phenyl-6-phenethyldihydropyrone 13n::6-[2-(3-aminophenyl)ethyl]-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-4-hydroxy-6-phenyl-5,6-dihydro-2H-pyran-2-one

SMILES: Cc1cc(SC2C(=O)CC(CCc3cccc(N)c3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C

InChI Key: InChIKey=OXNYGTOVKODUBX-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains 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 = 2525   

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)	BDBM2525 (6-Phenyl-6-phenethyldihydropyrone 13n | 6-[2-(3-am...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3cccc(N)c3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C Show InChI InChI=1S/C31H35NO4S/c1-20-15-27(25(30(2,3)4)17-22(20)19-33)37-28-26(34)18-31(36-29(28)35,23-10-6-5-7-11-23)14-13-21-9-8-12-24(32)16-21/h5-12,15-17,28,33H,13-14,18-19,32H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				J Med Chem 40: 3707-11 (1997) Article DOI: 10.1021/jm970522y BindingDB Entry DOI: 10.7270/Q2ZC812F
					More data for this Ligand-Target Pair