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BDBM17666 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-1H-1,3-benzodiazole::CHEMBL58581::benzimidazole analogue, 2

SMILES: Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F

InChI Key: InChIKey=MDIRLWZOKMHIJZ-UHFFFAOYSA-N

Data: 2 IC50  14 EC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 17666   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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PubMed
n/an/a 110n/an/an/an/a8.037



NCI-FCRDC



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 50: 4003-4015 (2007)


Article DOI: 10.1021/jm060103d
BindingDB Entry DOI: 10.7270/Q25M6409
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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PubMed
n/an/an/an/a 1.70E+3n/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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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n/an/an/an/a 460n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with L74V (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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n/an/an/an/a>2.00E+4n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with V106A (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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n/an/a 1.10E+5n/an/an/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
The quantity of compound required to reduce WT Reverse transcriptase activity by 50%


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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n/an/an/an/a 1.85E+3n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with NL4-3(WT) NNRTI (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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n/an/an/an/a 1.04E+4n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with V108I (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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n/an/an/an/a 1.52E+4n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with Y181C (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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n/an/an/an/a 2.30E+3n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with V179D (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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n/an/an/an/a 1.17E+4n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with Y188C (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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n/an/an/an/a 840n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with 4xAZT/L100I (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cyt...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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n/an/an/an/a 270n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with 4xAZT (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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Article
PubMed
n/an/an/an/a 4.75E+3n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with A98G (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with K101E (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
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Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with 4xAZT/Y181C (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cyt...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17666
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
PDB
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Article
PubMed
n/an/an/an/a 1.29E+4n/an/an/an/a



National Cancer Institute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Cross Resistance (antiviral activity) of the compound with K103N (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...


J Med Chem 40: 4199-207 (1998)


Article DOI: 10.1021/jm970096g
BindingDB Entry DOI: 10.7270/Q25B01KN
More data for this
Ligand-Target Pair