BDBM2483 (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one::CHEMBL223228::DMP-266::EFV::Efavirenz::Efavirenz (EFV)::L-743,726::Sustiva

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

InChI Key InChIKey=XPOQHMRABVBWPR-ZDUSSCGKSA-N

Data  29 KI  169 IC50  3 Kd  33 EC50  1 ITC

PDB links: 11 PDB IDs match this monomer.

  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 33 hits for monomerid = 2483   

TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  4nMAssay Description:Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) by 50%More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  57nMAssay Description:Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assayMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  1nMAssay Description:Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assayMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  300nMAssay Description:Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assayMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  200nMAssay Description:Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assayMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  16nMAssay Description:Inhibition of reverse transcriptase L100I mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  4nMAssay Description:Inhibition of reverse transcriptase E138K mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  38nMAssay Description:Inhibition of reverse transcriptase Y188L mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  57nMAssay Description:Inhibition of reverse transcriptase F227L/V106A double mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytoto...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  44nMAssay Description:Inhibition of reverse transcriptase K103N/Y181C double mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytoto...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  29nMAssay Description:Inhibition of reverse transcriptase K103N mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  5nMAssay Description:Inhibition of reverse transcriptase Y181C mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  5.20nMAssay Description:Inhibition of HIV-1 reverse transcriptase E138K mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect mea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  160nMAssay Description:Inhibition of HIV1 RES056 reverse transcriptase K103N/Y181C double mutant infected in human MT4 cells assessed as protection against virus-induced cy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  156nMAssay Description:Inhibition of recombinant HIV-1 reverse transcriptase RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)16 as template/primer preincubate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  3nMAssay Description:Inhibition of wild-type HIV1 3B reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect meas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  224nMAssay Description:Inhibition of HIV1 RES056 reverse transcriptase K103N/Y181C double mutant infected in human MT4 cells assessed as protection against virus-induced cy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  2.90nMAssay Description:Inhibition of wild-type HIV1 3B reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytotoxicity by MTT as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  5nMAssay Description:Inhibition of reverse transcriptase Y181C mutant in HIV-1 3B infected in human MT4 cells assessed as inhibition of viral replication after 5 days by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  101nMAssay Description:Inhibition of HIV-1 3B reverse transcriptase K103N mutant infected in human MT4 cells assessed as inhibition of viral replication after 5 days by cel...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  31nMAssay Description:Inhibition of reverse transcriptase L100I mutant in HIV-1 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incuba...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  71nMAssay Description:Inhibition of reverse transcriptase K103N mutant in HIV-1 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incuba...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  260nMAssay Description:Inhibition of reverse transcriptase Y188L mutant in HIV-1 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incuba...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  5nMAssay Description:Inhibition of reverse transcriptase E138K mutant in HIV-1 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incuba...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  380nMAssay Description:Inhibition of reverse transcriptase F227L/V106A double mutant in HIV-1 infected in human MT4 cells assessed as reduction in virus-induced cytopathic ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  48nMAssay Description:Inhibition of reverse transcriptase L100I mutant in HIV-1 3B infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect inc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  76nMAssay Description:Inhibition of reverse transcriptase K103N mutant in HIV-1 3B infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect inc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  4.80nMAssay Description:Inhibition of reverse transcriptase Y181C mutant in HIV-1 3B infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect inc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  171nMAssay Description:Inhibition of reverse transcriptase Y188L mutant in HIV-1 3B infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect inc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Merck Research Laboratory

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  7nMAssay Description:Inhibition of reverse transcriptase E138K mutant in HIV-1 3B infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect inc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  45nMAssay Description:Inhibition of HIV-1 p66/p51 reverse transcriptase L100I mutant incubated for 40 mins by picogreen dye-based spectrofluorometric analysisMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  92nMAssay Description:Inhibition of HIV-1 p66/p51 reverse transcriptase K103N mutant incubated for 40 mins by picogreen dye-based spectrofluorometric analysisMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Affinity DataEC50:  5.40nMAssay Description:Inhibition of HIV-1 p66/p51 reverse transcriptase Y181C mutant incubated for 40 mins by picogreen dye-based spectrofluorometric analysisMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 2483   

CellReverse transcriptase (HIV-1 RT)(1-350)(Human immunodeficiency virus type 1)
Chulalongkorn University

SyringePNGBDBM2483((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
ITC DataΔG°: -37.7kcal/mole −TΔS°: 19.7kcal/mole ΔH°: -57.3kcal/mole
T: 25.00°C