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BDBM2331 6-[(2,6-difluorophenyl)methyl]-2-(propan-2-ylsulfanyl)-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 2a::thio-DABO 5z

SMILES: CC(C)Sc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1

InChI Key: InChIKey=JSZPCWCYYSOCKA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 2331   
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)
BDBM2331
PNG
(6-[(2,6-difluorophenyl)methyl]-2-(propan-2-ylsulfa...)
Show SMILES CC(C)Sc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
Show InChI InChI=1S/C14H14F2N2OS/c1-8(2)20-14-17-9(7-13(19)18-14)6-10-11(15)4-3-5-12(10)16/h3-5,7-8H,6H2,1-2H3,(H,17,18,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2331
PNG
(6-[(2,6-difluorophenyl)methyl]-2-(propan-2-ylsulfa...)
Show SMILES CC(C)Sc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
Show InChI InChI=1S/C14H14F2N2OS/c1-8(2)20-14-17-9(7-13(19)18-14)6-10-11(15)4-3-5-12(10)16/h3-5,7-8H,6H2,1-2H3,(H,17,18,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 50n/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 44: 2544-54 (2001)


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