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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 reverse transcriptase' and Ligand = 'BDBM50029678'   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50029678
PNG
(4-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-6-methyl-1...)
Show SMILES CCc1c(C)[nH]c(=O)cc1Sc1cc(C)cc(C)c1
Show InChI InChI=1S/C16H19NOS/c1-5-14-12(4)17-16(18)9-15(14)19-13-7-10(2)6-11(3)8-13/h6-9H,5H2,1-4H3,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

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



URA 1387 CNRS

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase(RT)


J Med Chem 38: 4679-86 (1995)


BindingDB Entry DOI: 10.7270/Q2QF8RWD
More data for this
Ligand-Target Pair