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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 = 'BDBM50288068'   
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)
BDBM50288068
PNG
((2,4-Dimethyl-4-methylsulfanylmethoxy-tetrahydro-f...)
Show SMILES CSCO[C@@]1(C)CO[C@@](C)(CC(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)C1 |r|
Show InChI InChI=1S/C20H30N2O8S/c1-12-7-22(18(26)21-17(12)25)15-5-13(23)14(30-15)8-27-16(24)6-19(2)9-20(3,10-28-19)29-11-31-4/h7,13-15,23H,5-6,8-11H2,1-4H3,(H,21,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 6: 2411-2416 (1996)


Article DOI: 10.1016/0960-894X(96)00443-X
BindingDB Entry DOI: 10.7270/Q2TB16VK
More data for this
Ligand-Target Pair