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BDBM1807 3-(benzylsulfanyl)-4-hydroxy-6-phenyl-5,6-dihydro-2H-pyran-2-one::4-Hydroxy-5,6-dihydropyrone deriv. 1b::5,6-Dihydro-4-hydroxy-6-phenyl-3-[(phenylmethyl)thio]-2H-pyran-2-one

SMILES: O=C1CC(OC(=O)C1SCc1ccccc1)c1ccccc1

InChI Key: InChIKey=DRTDHTBNFZGXPK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1807   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1807
PNG
(3-(benzylsulfanyl)-4-hydroxy-6-phenyl-5,6-dihydro-...)
Show SMILES O=C1CC(OC(=O)C1SCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H16O3S/c19-15-11-16(14-9-5-2-6-10-14)21-18(20)17(15)22-12-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90E+3n/an/an/an/a4.737



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: 3781-92 (1997)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q29W0CNF
More data for this
Ligand-Target Pair