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BDBM2328 2-(cyclohexylsulfanyl)-6-(1-phenylpropyl)-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 3dd

SMILES: CCC(c1ccccc1)c1cc(=O)[nH]c(SC2CCCCC2)n1

InChI Key: InChIKey=FGMXMULQDHJUFC-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 2328   
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 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2328
PNG
(2-(cyclohexylsulfanyl)-6-(1-phenylpropyl)-3,4-dihy...)
Show SMILES CCC(c1ccccc1)c1cc(=O)[nH]c(SC2CCCCC2)n1
Show InChI InChI=1/C19H24N2OS/c1-2-16(14-9-5-3-6-10-14)17-13-18(22)21-19(20-17)23-15-11-7-4-8-12-15/h3,5-6,9-10,13,15-16H,2,4,7-8,11-12H2,1H3,(H,20,21,22)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/a7.837



Sapienza University of Rome



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 2544-54 (2001)


Article DOI: 10.1021/jm010853h
BindingDB Entry DOI: 10.7270/Q2CN724V
More data for this
Ligand-Target Pair