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PubMed code 9435891

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
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/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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n/an/a 500n/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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50061574
PNG
(1-Benzyl-2-(2,6-difluoro-phenyl)-4-methyl-1H-benzo...)
Show SMILES Cc1cccc2n(Cc3ccccc3)c(nc12)-c1c(F)cccc1F |(7.92,-7.8,;7.93,-9.34,;6.6,-10.13,;6.6,-11.67,;7.93,-12.44,;9.27,-11.65,;10.74,-12.12,;11.23,-13.59,;10.2,-14.73,;8.7,-14.42,;7.68,-15.57,;8.17,-17.03,;9.68,-17.34,;10.69,-16.19,;11.65,-10.87,;10.73,-9.62,;9.27,-10.11,;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,-8.2,)|
Show InChI InChI=1S/C21H16F2N2/c1-14-7-5-12-18-20(14)24-21(19-16(22)10-6-11-17(19)23)25(18)13-15-8-3-2-4-9-15/h2-12H,13H2,1H3
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n/an/a 1.60E+3n/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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50061572
PNG
(1-(2,6-Difluoro-benzyl)-2-phenyl-1H-benzoimidazole...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H14F2N2/c21-16-9-6-10-17(22)15(16)13-24-19-12-5-4-11-18(19)23-20(24)14-7-2-1-3-8-14/h1-12H,13H2
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n/an/a 1.60E+4n/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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50061575
PNG
(1-Benzyl-2-(2,6-difluoro-phenyl)-1H-benzoimidazole...)
Show SMILES Fc1cccc(F)c1-c1nc2ccccc2n1Cc1ccccc1 |(12.79,-8.1,;13.56,-6.77,;15.1,-6.77,;15.87,-5.44,;15.08,-4.11,;13.54,-4.11,;12.76,-2.78,;12.79,-5.44,;11.25,-5.44,;10.34,-4.21,;8.87,-4.7,;7.54,-3.92,;6.21,-4.7,;6.21,-6.25,;7.54,-7.01,;8.87,-6.24,;10.36,-6.7,;10.83,-8.17,;9.82,-9.32,;10.31,-10.76,;9.29,-11.92,;7.78,-11.6,;7.29,-10.15,;8.31,-8.99,)|
Show InChI InChI=1S/C20H14F2N2/c21-15-9-6-10-16(22)19(15)20-23-17-11-4-5-12-18(17)24(20)13-14-7-2-1-3-8-14/h1-12H,13H2
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n/an/a 1.86E+4n/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
Reverse transcriptase/RNaseH


(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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/a 2.00E+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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(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
Reverse transcriptase/RNaseH


(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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 6.20E+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
Reverse transcriptase/RNaseH


(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 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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 200n/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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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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 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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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n/an/an/an/a 700n/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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 300n/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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 300n/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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 1.10E+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 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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 1.74E+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
Reverse transcriptase/RNaseH


(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 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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 2.40E+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 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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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n/an/an/an/a 1.70E+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 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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 1.25E+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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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n/an/an/an/a 9.70E+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 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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 3.50E+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 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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 100n/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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 1.67E+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 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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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n/an/an/an/a 1.77E+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 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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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n/an/an/an/a 1.63E+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
Reverse transcriptase/RNaseH


(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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a>1.74E+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/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
Reverse transcriptase/RNaseH


(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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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n/an/an/an/a 1.50E+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 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
Reverse transcriptase/RNaseH


(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 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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a>1.74E+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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 200n/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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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n/an/an/an/a 1.22E+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 L100I (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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 2.80E+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 V108I (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate v

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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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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 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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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n/an/an/an/a 1.45E+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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 6.00E+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 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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(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 1.29E+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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 1.40E+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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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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 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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 8.10E+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 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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 1.74E+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 L100I (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
Reverse transcriptase/RNaseH


(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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 500n/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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 1.74E+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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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n/an/an/an/a 3.10E+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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 500n/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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 4.20E+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 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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 100n/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		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
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n/an/an/an/a 1.70E+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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50036504
PNG
((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...)
Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O
Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)
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n/an/an/an/a 2.00E+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 4xAZT/Y181C (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cyto...

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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM17665
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;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/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
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n/an/an/an/a 300n/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 L100I (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		3D
3D Structure (crystal)
* indicates data uncertainty>20%