BDBM10245 3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),6,8,10-tetraene::CHEMBL53554::NSC 625487::TBZ::Thiazolobenzimidazole

SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12

InChI Key InChIKey=AMLBAOPYPUXEQF-UHFFFAOYSA-N

Data  2 IC50  13 EC50

  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 15 hits for monomerid = 10245   

TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Universita Di Messina

LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataIC50: 2.46E+4nMpH: 7.5 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:
6/29/2006
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataIC50: 500nMAssay Description:The quantity of compound required to reduce WT Reverse transcriptase activity by 50%More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50: >2.00E+4nMAssay Description:Cross Resistance (antiviral activity) with K101E (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50:  1.63E+4nMAssay Description:Cross Resistance (antiviral activity) with Y181C (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50:  9.70E+3nMAssay Description:Cross Resistance (antiviral activity) with V108I (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50:  1.22E+4nMAssay Description:Cross Resistance (antiviral activity) with L100I (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50:  700nMAssay Description:Cross Resistance (antiviral activity) with L74V (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50:  1.70E+3nMAssay Description:Cross Resistance (antiviral activity) with NL4-3(WT) NNRTI (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cel...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50:  1.50E+3nMAssay Description:Cross Resistance (antiviral activity) with 4xAZT (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50:  3.10E+3nMAssay Description:Cross Resistance (antiviral activity) with V179D (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50: >2.00E+4nMAssay Description:Cross Resistance (antiviral activity) with K103N (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50:  1.45E+4nMAssay Description:Cross Resistance (antiviral activity) with 4xAZT/Y181C (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell ki...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50:  1.77E+4nMAssay Description:Cross Resistance (antiviral activity) with A98G (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50: >2.00E+4nMAssay Description:Cross Resistance (antiviral activity) with V106A (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM10245(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Affinity DataEC50:  1.70E+3nMAssay Description:Cross Resistance (antiviral activity) with 4xAZT/L100I (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell ki...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed