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BDBM2508 (+/-)-3-[ 1-[(Cyclohexylmethyl)thiol-3-methylbutyl]-4-droxy-6-phenyl-2H-pyran-2-one::3-{1-[(cyclohexylmethyl)sulfanyl]-3-methylbutyl}-4-hydroxy-6-phenyl-2H-pyran-2-one::C-3-substituted Pyran-2-one 17

SMILES: CC(C)CC(SCC1CCCCC1)c1c(O)cc(oc1=O)-c1ccccc1

InChI Key: InChIKey=CFCWWXNJEBXTDC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 2508   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM2508
PNG
((+/-)-3-[ 1-[(Cyclohexylmethyl)thiol-3-methylbutyl...)
Show SMILES CC(C)CC(SCC1CCCCC1)c1c(O)cc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H30O3S/c1-16(2)13-21(27-15-17-9-5-3-6-10-17)22-19(24)14-20(26-23(22)25)18-11-7-4-8-12-18/h4,7-8,11-12,14,16-17,21,24H,3,5-6,9-10,13,15H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 848n/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 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair