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BDBM50127561 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-chloromethylbenzimidazole::4-Chloromethyl-1-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-1H-benzoimidazole::CHEMBL294004

SMILES: Fc1cccc(F)c1Cn1c(nc2c(CCl)cccc12)-c1c(F)cccc1F

InChI Key: InChIKey=PENUREVAVQXFHC-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50127561   
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)
BDBM50127561
PNG
(1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-ch...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2c(CCl)cccc12)-c1c(F)cccc1F |(12.21,-16.49,;10.69,-16.19,;9.68,-17.34,;8.17,-17.03,;7.68,-15.57,;8.7,-14.42,;7.21,-14.01,;10.2,-14.73,;11.23,-13.59,;10.74,-12.12,;11.65,-10.87,;10.73,-9.62,;9.27,-10.11,;7.93,-9.34,;7.92,-7.8,;9.26,-7.03,;6.6,-10.13,;6.6,-11.67,;7.93,-12.44,;9.27,-11.65,;13.18,-10.86,;13.96,-12.19,;13.19,-13.53,;15.5,-12.19,;16.26,-10.85,;15.48,-9.5,;13.94,-9.53,;13.16,-8.17,)|
Show InChI InChI=1S/C21H13ClF4N2/c22-10-12-4-1-9-18-20(12)27-21(19-16(25)7-3-8-17(19)26)28(18)11-13-14(23)5-2-6-15(13)24/h1-9H,10-11H2
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 160n/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