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BDBM50061697 6-(3,5-Dimethyl-phenylsulfanyl)-1-(2-hydroxy-ethoxymethyl)-5-isopropyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one::CHEMBL274265

SMILES: CC(C)c1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=S)[nH]c1=O

InChI Key: InChIKey=BFWDEZUKKBSUKN-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061697   
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 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061697
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-1-(2-hydroxy-ethox...)
Show SMILES CC(C)c1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=S)[nH]c1=O
Show InChI InChI=1S/C18H24N2O3S2/c1-11(2)15-16(22)19-18(24)20(10-23-6-5-21)17(15)25-14-8-12(3)7-13(4)9-14/h7-9,11,21H,5-6,10H2,1-4H3,(H,19,22,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair