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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50492179'   
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)
BDBM50492179
PNG
(CHEMBL2397587)
Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2(C)CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N7O3/c1-26(7-4-10-35-26)8-9-33-22-19-11-17(18-14-30-32(3)15-18)13-29-24(19)36-23(22)21(31-25(33)34)16-5-6-20(27-2)28-12-16/h5-6,11-15H,4,7-10H2,1-3H3,(H,27,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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