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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'HIV-1 Reverse Transcriptase' and Ligand = 'BDBM2335'   
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)
BDBM2335
PNG
(2-(butan-2-ylsulfanyl)-6-[(2,6-difluorophenyl)meth...)
Show SMILES CCC(C)Sc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1
Show InChI InChI=1S/C16H18F2N2OS/c1-4-9(2)22-16-19-14(10(3)15(21)20-16)8-11-12(17)6-5-7-13(11)18/h5-7,9H,4,8H2,1-3H3,(H,19,20,21)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



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 42: 619-27 (1999)


Article DOI: 10.1021/jm980260f
BindingDB Entry DOI: 10.7270/Q2445JPQ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2335
PNG
(2-(butan-2-ylsulfanyl)-6-[(2,6-difluorophenyl)meth...)
Show SMILES CCC(C)Sc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1
Show InChI InChI=1S/C16H18F2N2OS/c1-4-9(2)22-16-19-14(10(3)15(21)20-16)8-11-12(17)6-5-7-13(11)18/h5-7,9H,4,8H2,1-3H3,(H,19,20,21)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 50n/an/an/an/a7.837



Universita degli Studi di Roma La Sapienza



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: 2544-54 (2001)


BindingDB Entry DOI: 10.7270/Q2CN724V
More data for this
Ligand-Target Pair