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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 = 'BDBM50070292'   
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)
BDBM50070292
PNG
(2-(4-Hydroxy-2-methyl-pyrrolidin-2-yl)-N-[5-(5-met...)
Show SMILES Cc1cn(C2OC(CNC(=O)CC3(C)CC(O)CN3)C=C2)c(=O)[nH]c1=O |c:20|
Show InChI InChI=1S/C17H24N4O5/c1-10-9-21(16(25)20-15(10)24)14-4-3-12(26-14)8-18-13(23)6-17(2)5-11(22)7-19-17/h3-4,9,11-12,14,19,22H,5-8H2,1-2H3,(H,18,23)(H,20,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of Wales Cardiff

Curated by ChEMBL


Assay Description
Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 1211-4 (1999)


BindingDB Entry DOI: 10.7270/Q2PZ580P
More data for this
Ligand-Target Pair