BDBM1868 (+)-(5S)-4,5,6,7-tetrahydro-9-chloro 5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk] [ 1,4] benzodiazepine 2(1M-thione::(11S)-6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-triazatricyclo[6.4.1.0^{4,13}]trideca-4,6,8(13)-triene-2-thione::9-Chloro-TIBO::9-Cl-TIBO::R82913

SMILES C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)C[N@]1CC=C(C)C

InChI Key InChIKey=RCSLUNOLLUVOOG-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 1868   

TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Eli Lilly

LigandPNGBDBM1868((11S)-6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl...)
Affinity DataIC50: 200nMpH: 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:
10/25/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Eli Lilly

LigandPNGBDBM1868((11S)-6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl...)
Affinity DataIC50: 200nMAssay 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:
11/8/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I](Human immunodeficiency virus type 1)
Eli Lilly

LigandPNGBDBM1868((11S)-6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl...)
Affinity DataIC50: 3.22E+4nMAssay 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:
11/8/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C](Human immunodeficiency virus type 1)
Eli Lilly

LigandPNGBDBM1868((11S)-6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl...)
Affinity DataIC50: 1.30E+4nMAssay 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:
11/8/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Eli Lilly

LigandPNGBDBM1868((11S)-6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl...)
Affinity DataIC50: 311nMpH: 8.2Assay 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:
11/17/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM1868((11S)-6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl...)
Affinity DataIC50: 7.32E+3nMpH: 8.2Assay 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:
11/17/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C](Human immunodeficiency virus type 1)
Eli Lilly

LigandPNGBDBM1868((11S)-6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl...)
Affinity DataIC50: 3.95E+4nMpH: 8.2Assay 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:
11/17/2004
Entry Details Article
PubMed