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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50482314'   
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 protein


(Human immunodeficiency virus 1)
BDBM50482314
PNG
(CHEMBL1171404)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C#N)CC2)ncc1Br)C#N
Show InChI InChI=1S/C26H24BrClN6O/c1-16-9-19(13-30)10-17(2)24(16)35-25-22(27)14-31-26(33-25)32-21-5-7-34(8-6-21)15-20-4-3-18(12-29)11-23(20)28/h3-4,9-11,14,21H,5-8,15H2,1-2H3,(H,31,32,33)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 159n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay


Bioorg Med Chem Lett 20: 4215-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.040
BindingDB Entry DOI: 10.7270/Q21Z478K
More data for this
Ligand-Target Pair