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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50524502'   
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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50524502
PNG
(CHEMBL4561610)
Show SMILES COc1cccc(NC2=Nc3ccc(Cl)cc3C(N2)(C#CC2CC2)C(F)(F)F)c1 |t:8|
Show InChI InChI=1S/C21H17ClF3N3O/c1-29-16-4-2-3-15(12-16)26-19-27-18-8-7-14(22)11-17(18)20(28-19,21(23,24)25)10-9-13-5-6-13/h2-4,7-8,11-13H,5-6H2,1H3,(H2,26,27,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...


Eur J Med Chem 176: 11-20 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.011
BindingDB Entry DOI: 10.7270/Q2F47SJC
More data for this
Ligand-Target Pair