null

SMILES FC(F)(F)[C@]1(NC(=O)Nc2ccc(Cl)cc12)C#CC1CC1

InChI Key InChIKey=JJWJSIAJLBEMEN-ZDUSSCGKSA-N

  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 5 hits for monomerid = 2898   

TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
DuPont Pharmaceuticals Company

LigandPNGBDBM2898((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)copy SMILEScopy InChI
Affinity DataIC50: 32nMpH: 8.2 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24X560JPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Instituto de Tecnologia em F£rmacos

Curated by ChEMBL
LigandPNGBDBM2898((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)copy SMILEScopy InChI
Affinity DataIC50: 32nMAssay Description:Inhibition of HIV1 reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G162NXPubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM2898((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)copy SMILEScopy InChI
Affinity DataIC50: 31nMAssay Description:Compound was evaluated for its ability to inhibit the NNRTI HIV-1 enzyme by 50% using enzyme assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23T9HSRPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM2898((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)copy SMILEScopy InChI
Affinity DataIC50: 31nMAssay Description:Tested for inhibitory concentration against HIV-1 non-nucleoside reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2319WDFPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM2898((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)copy SMILEScopy InChI
Affinity DataIC50: 31nMAssay Description:The compound was evaluated for the inhibition of HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q21G0MSHPubMed