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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 = 'BDBM50029663'   
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)
BDBM50029663
PNG
(4-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-6-methyl-2...)
Show SMILES CCOC(=O)c1c(Sc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O
Show InChI InChI=1S/C19H23NO3S/c1-6-15-13(5)20-18(21)16(19(22)23-7-2)17(15)24-14-9-11(3)8-12(4)10-14/h8-10H,6-7H2,1-5H3,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 600n/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