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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50492148'   
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)
BDBM50492148
PNG
(CHEMBL2397556)
Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(ncc3oc2c(nc1=O)-c1cnn(C)c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H25N7O3/c1-4-17-7-16(5-6-33-17)31-22-18-8-19(14-9-26-29(2)12-14)25-11-20(18)34-23(22)21(28-24(31)32)15-10-27-30(3)13-15/h8-13,16-17H,4-7H2,1-3H3/t16-,17-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair