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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 1738   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1738
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1h | 2-amino...)
Show SMILES Nc1cccc(Sc2ccccc2Cl)c1C#N
Show InChI InChI=1S/C13H9ClN2S/c14-10-4-1-2-6-13(10)17-12-7-3-5-11(16)9(12)8-15/h1-7H,16H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 7.20E+3n/an/an/an/a8.0n/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1738
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1h | 2-amino...)
Show SMILES Nc1cccc(Sc2ccccc2Cl)c1C#N
Show InChI InChI=1S/C13H9ClN2S/c14-10-4-1-2-6-13(10)17-12-7-3-5-11(16)9(12)8-15/h1-7H,16H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.24E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair