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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50484018'   
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 protein


(Human immunodeficiency virus 1)
BDBM50484018
PNG
(CHEMBL223769)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C27H23NO3/c1-2-27(21-16-14-20(15-17-21)19-30-22-9-4-3-5-10-22)26(29)24-12-8-18-28(24)23-11-6-7-13-25(23)31-27/h3-18H,2,19H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



2-Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I 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
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50484018
PNG
(CHEMBL223769)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C27H23NO3/c1-2-27(21-16-14-20(15-17-21)19-30-22-9-4-3-5-10-22)26(29)24-12-8-18-28(24)23-11-6-7-13-25(23)31-27/h3-18H,2,19H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



2-Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N 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