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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM27580'   
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)
BDBM27580
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H22ClNO3/c1-2-27(20-14-12-19(13-15-20)18-31-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)32-27/h3-17H,2,18H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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)
BDBM27580
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H22ClNO3/c1-2-27(20-14-12-19(13-15-20)18-31-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)32-27/h3-17H,2,18H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/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