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BDBM50127554 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-hydroxymethylbenzimidazole::CHEMBL292831::[1-(2,6-Difluoro-benzyl)-2-(2,6-difluoro-phenyl)-1H-benzoimidazol-4-yl]-methanol

SMILES: OCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F

InChI Key: InChIKey=MGYZUCIETLMBFX-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50127554   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50127554
PNG
(1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-hy...)
Show SMILES OCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(9.26,-7.73,;7.92,-8.5,;7.93,-10.04,;6.6,-10.83,;6.6,-12.37,;7.93,-13.14,;9.27,-12.35,;10.74,-12.82,;11.23,-14.29,;10.2,-15.43,;10.69,-16.89,;12.21,-17.19,;9.68,-18.04,;8.17,-17.73,;7.68,-16.27,;8.7,-15.12,;7.21,-14.71,;11.65,-11.57,;10.73,-10.32,;9.27,-10.81,;13.18,-11.56,;13.96,-12.89,;13.19,-14.23,;15.5,-12.89,;16.26,-11.55,;15.48,-10.2,;13.94,-10.23,;13.16,-8.89,)|
Show InChI InChI=1S/C21H14F4N2O/c22-14-5-2-6-15(23)13(14)10-27-18-9-1-4-12(11-28)20(18)26-21(27)19-16(24)7-3-8-17(19)25/h1-9,28H,10-11H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 50n/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase.


J Med Chem 46: 1940-7 (2003)


Article DOI: 10.1021/jm020271f
BindingDB Entry DOI: 10.7270/Q2610ZPC
More data for this
Ligand-Target Pair