BDBM2325 2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 3w

SMILES CC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F

InChI Key InChIKey=UBGUQYHIHIWAKK-UHFFFAOYSA-N

Data  6 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 2325   

TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Sapienza University of Rome

LigandPNGBDBM2325(S-DABO | 2-(cyclopentylsulfanyl)-6-[1-(2,6-difluor...)
Affinity DataIC50: 5nMpH: 7.8 T: 2°CAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2004
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Sapienza University of Rome

LigandPNGBDBM2325(S-DABO | 2-(cyclopentylsulfanyl)-6-[1-(2,6-difluor...)
Affinity DataIC50: 5nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2004
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM2325(S-DABO | 2-(cyclopentylsulfanyl)-6-[1-(2,6-difluor...)
Affinity DataKi:  5nMAssay Description:Inhibition of wild type HIV1 3B reverse transcriptaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM2325(S-DABO | 2-(cyclopentylsulfanyl)-6-[1-(2,6-difluor...)
Affinity DataKi:  30nMAssay Description:Inhibition of HIV1 reverse transcriptase K103N mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM2325(S-DABO | 2-(cyclopentylsulfanyl)-6-[1-(2,6-difluor...)
Affinity DataKi:  250nMAssay Description:Inhibition of HIV1 reverse transcriptase V179D mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM2325(S-DABO | 2-(cyclopentylsulfanyl)-6-[1-(2,6-difluor...)
Affinity DataKi:  300nMAssay Description:Inhibition of HIV1 reverse transcriptase L100I mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM2325(S-DABO | 2-(cyclopentylsulfanyl)-6-[1-(2,6-difluor...)
Affinity DataKi:  500nMAssay Description:Inhibition of HIV1 reverse transcriptase V106A mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM2325(S-DABO | 2-(cyclopentylsulfanyl)-6-[1-(2,6-difluor...)
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of HIV1 reverse transcriptase Y188L mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed