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BDBM50101465 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-isopropyl-6-[2-(5-methyl-thiazol-4-yl)-ethyl]-5,6-dihydro-pyran-2-one::CHEMBL78209

SMILES: CC(C)C1(CCc2ncsc2C)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=FCYXWYAKZLXFEZ-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101465   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50101465
PNG
(3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...)
Show SMILES CC(C)C1(CCc2ncsc2C)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1/C26H35NO4S2/c1-15(2)26(9-8-20-17(4)32-14-27-20)12-21(29)23(24(30)31-26)33-22-10-16(3)18(13-28)11-19(22)25(5,6)7/h10-11,14-15,23,28H,8-9,12-13H2,1-7H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
HIV-1 protease inhibition.


J Med Chem 44: 2319-32 (2001)


Article DOI: 10.1021/jm0003844
BindingDB Entry DOI: 10.7270/Q2BK1D2T
More data for this
Ligand-Target Pair