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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50339521'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50339521
PNG
((+/-)-6-Ethyl-6-[4-[(4-fluorophenylthio)methyl]phe...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H22FNO2S/c1-2-27(20-11-9-19(10-12-20)18-32-22-15-13-21(28)14-16-22)26(30)24-7-5-17-29(24)23-6-3-4-8-25(23)31-27/h3-17H,2,18H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



2-Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of HIV1 wild type reverse transcriptase


Bioorg Med Chem Lett 21: 3935-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.020
BindingDB Entry DOI: 10.7270/Q2319ZQ9
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50339521
PNG
((+/-)-6-Ethyl-6-[4-[(4-fluorophenylthio)methyl]phe...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H22FNO2S/c1-2-27(20-11-9-19(10-12-20)18-32-22-15-13-21(28)14-16-22)26(30)24-7-5-17-29(24)23-6-3-4-8-25(23)31-27/h3-17H,2,18H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



2-Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V179D mutant


Bioorg Med Chem Lett 21: 3935-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.020
BindingDB Entry DOI: 10.7270/Q2319ZQ9
More data for this
Ligand-Target Pair