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BDBM2362 2-(butan-2-ylsulfanyl)-6-[(3-fluorophenyl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 5n

SMILES: CCC(C)Sc1nc(Cc2cccc(F)c2)c(C)c(=O)[nH]1

InChI Key: InChIKey=RDRHRJZGUURUSE-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 2362   
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)
BDBM2362
PNG
(2-(butan-2-ylsulfanyl)-6-[(3-fluorophenyl)methyl]-...)
Show SMILES CCC(C)Sc1nc(Cc2cccc(F)c2)c(C)c(=O)[nH]1
Show InChI InChI=1/C16H19FN2OS/c1-4-10(2)21-16-18-14(11(3)15(20)19-16)9-12-6-5-7-13(17)8-12/h5-8,10H,4,9H2,1-3H3,(H,18,19,20)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/a7.837



Universita degli Studi di Roma La Sapienza



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 42: 619-27 (1999)


Article DOI: 10.1021/jm980260f
BindingDB Entry DOI: 10.7270/Q2445JPQ
More data for this
Ligand-Target Pair