BDBM50339522 (+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phenyl]-6,7-dihydrobenzo[b]pyrrolo[1,2-d][1,4]oxazepin-7-one::CHEMBL1688505

SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(Br)cc2)cc1

InChI Key InChIKey=NWQVIYMBFIYAIY-UHFFFAOYSA-N

Data  12 KI  5 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 17 hits for monomerid = 50339522   

TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  30nMAssay Description:Inhibition of HIV1 reverse transcriptase L100I mutant/poly(rA)/oligo(dT) DNA/dTTP ternary complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  110nMAssay Description:Inhibition of HIV1 wild type reverse transcriptase/poly(rA)/oligo(dT) DNA/dTTP ternary complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  190nMAssay Description:Inhibition of HIV1 reverse transcriptase V179D mutant/poly(rA)/oligo(dT) DNA/dTTP ternary complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  400nMAssay Description:Inhibition of HIV1 free wild type reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  400nMAssay Description:Inhibition of HIV1 wild type reverse transcriptase/poly(rA)/oligo(dT) DNA binary complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  620nMAssay Description:Inhibition of HIV1 free reverse transcriptase V179D mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  620nMAssay Description:Inhibition of HIV1 reverse transcriptase V179D mutant/poly(rA)/oligo(dT) DNA binary complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  1.04E+3nMAssay Description:Inhibition of HIV1 reverse transcriptase K103N mutant/poly(rA)/oligo(dT) DNA/dTTP ternary complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of HIV1 free reverse transcriptase L100I mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of HIV1 reverse transcriptase L100I mutant/poly(rA)/oligo(dT) DNA binary complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  2.21E+3nMAssay Description:Inhibition of HIV1 free reverse transcriptase K103N mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataKi:  2.21E+3nMAssay Description:Inhibition of HIV1 reverse transcriptase K103N mutant/poly(rA)/oligo(dT) DNA binary complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataIC50:  1.16E+3nMAssay Description:Inhibition of HIV1 reverse transcriptase K103N mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataIC50:  290nMAssay Description:Inhibition of HIV1 reverse transcriptase V179D mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Human)
Universita` Di Siena

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of human adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataIC50: >4.00E+5nMAssay Description:Inhibition of HIV1 reverse transcriptase L100I mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
2-Universit£

Curated by ChEMBL
LigandPNGBDBM50339522((+/-)-6-Ethyl-6-[4-[(4-bromophenylthio)methyl]phen...)
Affinity DataIC50:  60nMAssay Description:Inhibition of HIV1 wild type reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed