General Information of the Protein
Protein ID
PT00005
Protein Name
Reverse transcriptase/RNaseH
Gene Name
POL
Sequence
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIRVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLRTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVLFLDGID
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Organism
Human immunodeficiency virus 1
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
Q72547
Map of Molecular Bioactivity Related to the Protein
Map of Molecular Bioactivity Related to the Protein

Protein
Cell Line
Compound

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Protein
Cell Line ID: CL000108 , CCRF-CEM
Compound ID Compound Name Compound Formula
CP0041607
(AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
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C10H13N5O4
 1
1
EC50 = 3 nM
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CP0496581
(5R,6R)-1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
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C11H16IN5O5
 1
1
EC50 = 3.17 nM
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CP0375508
(5R,6R)-1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
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C11H16BrN5O5
 1
1
EC50 = 3.27 nM
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CP0520338
(5S,6S)-1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
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C11H16IN5O5
 1
1
EC50 = 5.15 nM
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CP0528779
(5R,6R)-1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-6-ethoxy-5-methyl-1,3-diazinane-2,4-dione
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C12H18BrN5O5
 1
1
EC50 = 6.75 nM
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CP0503499
(5S,6S)-1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-6-ethoxy-5-methyl-1,3-diazinane-2,4-dione
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C12H18BrN5O5
 1
1
EC50 = 23.7 nM
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CP0096367
1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
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C25H45N3O8SSi2
 1
1
EC50 = 40 nM
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CP0141639
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
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C24H43N3O8SSi2
 2
1
EC50 = 50 nM
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2
EC50 = 60 nM
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CP0850206
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-iodo-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
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C25H44IN3O8SSi2
 1
1
EC50 = 50 nM
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CP0082036
1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-iodo-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione
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C24H42IN3O8SSi2
 1
1
EC50 = 60 nM
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CP0529870
(5S,6S)-1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
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C11H16BrN5O5
 1
1
EC50 = 280 nM
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CP0889438
1-[4-Amino-3-bromo-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione
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C24H42BrN3O8SSi2
 1
1
EC50 = 850 nM
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CP0397344
(5R,6R)-1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-5-methyl-6-octoxy-1,3-diazinane-2,4-dione
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C18H30BrN5O5
 1
1
EC50 = 865 nM
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CP0891921
3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-8-(3,5-dimethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-3-yl]-acrylic acid methyl ester
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C29H49N3O10SSi2
 1
1
EC50 = 980 nM
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CP0505164
6-azido-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-chloro-5-methyl-1,3-diazinane-2,4-dione
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C10H13ClN8O4
 1
1
EC50 = 1490 nM
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CP0712238
{3-[4-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-3-hydroxy-tetrahydro-furan-2-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-acetic acid
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C24H44N2O8Si2
 1
1
EC50 = 1800 nM
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CP0930736
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-methyl-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
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C26H47N3O8SSi2
 1
1
EC50 = 2200 nM
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CP0897698
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-3-phenyl-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione
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C30H47N3O8SSi2
 1
1
EC50 = 2500 nM
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CP0874546
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-(3-hydroxy-propenyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
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C28H49N3O9SSi2
 1
1
EC50 = 2800 nM
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CP0860032
3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-8-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-3-yl]-acrylic acid methyl ester
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C28H47N3O10SSi2
 1
1
EC50 = 3000 nM
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CP0878059
3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-8-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-3-yl]-acrylic acid ethyl ester
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C29H49N3O10SSi2
 1
1
EC50 = 3500 nM
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CP0927012
{3-[3-(tert-Butyl-dimethyl-silanyloxy)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-acetic acid benzyl ester
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C25H36N2O8Si
 1
1
EC50 = 4000 nM
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CP0874413
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-3-vinyl-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione
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C26H45N3O8SSi2
 1
1
EC50 = 4000 nM
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CP0149785
2-[3-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
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C24H44N2O8Si2
 1
1
EC50 = 4500 nM
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CP0221683
2-[3-[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
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C24H44N2O7Si2
 1
1
EC50 = 4500 nM
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CP0850157
{3-[4-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-acetic acid
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C24H44N2O7Si2
 1
1
EC50 = 5000 nM
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CP0529922
(5R,6R)-1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-5-methyl-6-propan-2-yloxy-1,3-diazinane-2,4-dione
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C13H20BrN5O5
 1
1
EC50 = 5720 nM
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CP0496726
(6R)-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-chloro-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
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C11H16ClN5O5
 1
1
EC50 = 5790 nM
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CP0408758
benzyl 2-[3-[(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate
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C25H36N2O8Si
 1
1
EC50 > 10000 nM
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CP0881031
{3-[3-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-4-hydroxy-tetrahydro-furan-2-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-acetic acid benzyl ester
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C31H50N2O8Si2
 1
1
EC50 > 10000 nM
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CP0914588
{3-[3,4-Bis-(tert-butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-acetic acid benzyl ester
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C37H64N2O8Si3
 1
1
EC50 > 10000 nM
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CP0914593
{3-[4-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-acetic acid benzyl ester
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C31H50N2O7Si2
 1
1
EC50 > 10000 nM
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CP0881070
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-chloro-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione
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C24H42ClN3O8SSi2
 1
1
EC50 > 10000 nM
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CP0847076
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-hydroxymethyl-2,2-dioxo-3-vinyl-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione
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C20H31N3O8SSi
 1
1
EC50 = 15000 nM
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CP0878569
{3-[3-(tert-Butyl-dimethyl-silanyloxy)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-acetic acid
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C18H30N2O8Si
 1
1
EC50 = 20000 nM
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CP0919814
{3-[3,4-Bis-(tert-butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-acetic acid
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C30H58N2O8Si3
 1
1
EC50 = 32000 nM
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CP0874528
{3-[4-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-3-hydroxy-tetrahydro-furan-2-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-acetic acid benzyl ester
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C31H50N2O8Si2
 1
1
EC50 > 50000 nM
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CP0859721
1-[4-Allylamino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
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C28H49N3O8SSi2
 1
1
EC50 > 50000 nM
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CP0885511
1-[3-Allyl-4-amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
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C28H49N3O8SSi2
 1
1
EC50 > 50000 nM
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CP0878581
1-[9-(tert-Butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-methyl-4-methylamino-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
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C27H49N3O8SSi2
 1
1
EC50 > 100000 nM
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CP0403716
benzyl 2-[3-[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate
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C31H50N2O7Si2
 1
1
EC50 > 2000 nM
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CP0777067
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-(3-hydroxy-propenyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione
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C27H47N3O9SSi2
 1
1
EC50 > 2000 nM
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CP0863181
2-[9-(tert-Butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-4-(carbamoylmethyl-amino)-8-(3,5-dimethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-3-yl]-acetamide
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C29H51N5O10SSi2
 1
1
EC50 > 2000 nM
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CP0870939
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-3-thiophen-3-yl-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
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C29H47N3O8S2Si2
 1
1
EC50 > 2000 nM
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CP0870947
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-3-prop-1-ynyl-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
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C28H47N3O8SSi2
 1
1
EC50 > 2000 nM
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Biochemical Assays
Compound ID Compound Name Compound Formula
CP0132905
Rilpivirine
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C22H18N6
 13
1 EC50 = 0.4 nM
2 IC50 = 1 nM
3 IC50 = 15 nM
4 IC50 = 21 nM
5 IC50 = 22 nM
6 IC50 = 23 nM
7 IC50 = 24 nM
8 IC50 = 27 nM
9 IC50 = 38 nM
10 IC50 = 41 nM
11 IC50 = 42 nM
12 IC50 = 84 nM
13 IC50 > 10000 nM
CP0043833
(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one
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C14H9ClF3NO2
 64
1 EC50 = 1 nM
2 EC50 = 4 nM
3 EC50 = 5.4 nM
4 EC50 = 44.7 nM
5 EC50 = 91.5 nM
6 EC50 = 156.17 nM
7 IC50 = 0.091 nM
8 IC50 = 0.166 nM
9 IC50 = 0.42 nM
10 IC50 = 0.75 nM
11 IC50 = 1 nM
12 IC50 = 1.3 nM
13 IC50 = 2 nM
14 IC50 = 3 nM
15 IC50 = 4 nM
16 IC50 = 6 nM
17 IC50 = 7 nM
18 IC50 = 7.2 nM
19 IC50 = 8 nM
20 IC50 = 9.503294 nM
21 IC50 = 10 nM
22 IC50 = 11 nM
23 IC50 = 12 nM
24 IC50 = 14 nM
25 IC50 = 17 nM
26 IC50 = 18 nM
27 IC50 = 20 nM
28 IC50 = 22 nM
29 IC50 = 22.174354 nM
30 IC50 = 24 nM
31 IC50 = 30 nM
32 IC50 = 35 nM
33 IC50 = 38 nM
34 IC50 = 40 nM
35 IC50 = 44 nM
36 IC50 = 47 nM
37 IC50 = 48 nM
38 IC50 = 50 nM
39 IC50 = 57 nM
40 IC50 = 61 nM
41 IC50 = 80 nM
42 IC50 = 93 nM
43 IC50 = 120 nM
44 IC50 = 180 nM
45 IC50 = 280 nM
46 IC50 = 360 nM
47 IC50 = 400 nM
48 IC50 = 480 nM
49 IC50 = 500 nM
50 IC50 = 680 nM
51 IC50 = 800 nM
52 IC50 = 1520 nM
53 IC50 = 2100 nM
54 IC50 > 20000 nM
55 IC50 > 100000 nM
56 Ki = 0.4 nM
57 Ki = 2.93 nM
58 Ki = 3 nM
59 Ki = 4 nM
60 Ki = 30 nM
61 Ki = 40 nM
62 Ki = 120 nM
63 Ki = 150 nM
64 Ki = 160 nM
CP0041607
(AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
   Show/Hide
C10H13N5O4
 17
1 EC50 = 3 nM
2 EC50 = 10 nM
3 IC50 = 3 nM
4 IC50 = 6 nM
5 IC50 = 10 nM
6 IC50 = 11 nM
7 IC50 = 12.722646 nM
8 IC50 = 17 nM
9 IC50 = 40 nM
10 IC50 = 50 nM
11 IC50 = 4540 nM
12 IC50 = 18220 nM
13 IC50 = 20140 nM
14 IC50 = 20520 nM
15 IC50 = 21430 nM
16 IC50 > 100000 nM
17 Kd = 5.4 nM
CP0010654
4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile
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C20H15BrN6O
 36
1 EC50 = 3.4 nM
2 EC50 = 10.7 nM
3 EC50 = 18.9 nM
4 IC50 = 0.6 nM
5 IC50 = 8 nM
6 IC50 = 10 nM
7 IC50 = 11 nM
8 IC50 = 12 nM
9 IC50 = 13 nM
10 IC50 = 17 nM
11 IC50 = 19 nM
12 IC50 = 20 nM
13 IC50 = 25 nM
14 IC50 = 26 nM
15 IC50 = 32 nM
16 IC50 = 46 nM
17 IC50 = 48 nM
18 IC50 = 59 nM
19 IC50 = 68 nM
20 IC50 = 71 nM
21 IC50 = 83 nM
22 IC50 = 89 nM
23 IC50 = 97 nM
24 IC50 = 126 nM
25 IC50 = 130 nM
26 IC50 = 164 nM
27 IC50 = 175 nM
28 IC50 = 180 nM
29 IC50 = 350 nM
30 IC50 = 550 nM
31 IC50 = 694.8 nM
32 IC50 = 750 nM
33 IC50 = 980 nM
34 IC50 = 1000 nM
35 IC50 = 3100 nM
36 IC50 = 6500 nM
CP0039375
11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one
   Show/Hide
C15H14N4O
 118
1 EC50 = 3.6 nM
2 EC50 = 20 nM
3 EC50 = 26 nM
4 EC50 = 30 nM
5 EC50 = 53 nM
6 EC50 = 70 nM
7 EC50 = 100 nM
8 EC50 = 110 nM
9 EC50 = 250 nM
10 EC50 = 380 nM
11 EC50 = 1700 nM
12 EC50 = 4106 nM
13 EC50 = 8026 nM
14 EC50 = 8082 nM
15 IC50 = 0.337965 nM
16 IC50 = 1.3 nM
17 IC50 = 1.9 nM
18 IC50 = 60 nM
19 IC50 = 73 nM
20 IC50 = 80 nM
21 IC50 = 84 nM
22 IC50 = 100 nM
23 IC50 = 110 nM
24 IC50 = 114 nM
25 IC50 = 130 nM
26 IC50 = 137 nM
27 IC50 = 160 nM
28 IC50 = 170 nM
29 IC50 = 176 nM
30 IC50 = 180 nM
31 IC50 = 181 nM
32 IC50 = 200 nM
33 IC50 = 230 nM
34 IC50 = 250 nM
35 IC50 = 270 nM
36 IC50 = 280 nM
37 IC50 = 300 nM
38 IC50 = 320 nM
39 IC50 = 400 nM
40 IC50 = 404 nM
41 IC50 = 430 nM
42 IC50 = 450 nM
43 IC50 = 480 nM
44 IC50 = 500 nM
45 IC50 = 510 nM
46 IC50 = 550 nM
47 IC50 = 552 nM
48 IC50 = 575 nM
49 IC50 = 580 nM
50 IC50 = 590 nM
51 IC50 = 595 nM
52 IC50 = 600 nM
53 IC50 = 620 nM
54 IC50 = 625 nM
55 IC50 = 670 nM
56 IC50 = 700 nM
57 IC50 = 705 nM
58 IC50 = 778 nM
59 IC50 = 900 nM
60 IC50 = 920 nM
61 IC50 = 1000 nM
62 IC50 = 1060 nM
63 IC50 = 1150 nM
64 IC50 = 1200 nM
65 IC50 = 1350 nM
66 IC50 = 1389.410439 nM
67 IC50 = 1390 nM
68 IC50 = 1480 nM
69 IC50 = 1550 nM
70 IC50 = 1700 nM
71 IC50 = 1795 nM
72 IC50 = 1850 nM
73 IC50 = 2110 nM
74 IC50 = 2320 nM
75 IC50 = 2400 nM
76 IC50 = 2500 nM
77 IC50 = 2600 nM
78 IC50 = 2700 nM
79 IC50 = 2740 nM
80 IC50 = 3000 nM
81 IC50 = 3100 nM
82 IC50 = 3200 nM
83 IC50 = 3500 nM
84 IC50 = 3930 nM
85 IC50 = 4100 nM
86 IC50 = 4120 nM
87 IC50 = 4390 nM
88 IC50 = 4400 nM
89 IC50 = 4450 nM
90 IC50 = 4650 nM
91 IC50 = 4848 nM
92 IC50 = 5500 nM
93 IC50 = 6000 nM
94 IC50 = 6200 nM
95 IC50 = 6440 nM
96 IC50 = 7000 nM
97 IC50 = 7500 nM
98 IC50 = 8780 nM
99 IC50 = 8800 nM
100 IC50 = 9000 nM
101 IC50 = 10600 nM
102 IC50 = 11000 nM
103 IC50 = 11800 nM
104 IC50 = 13000 nM
105 IC50 = 13200 nM
106 IC50 = 23000 nM
107 IC50 = 31000 nM
108 IC50 < 500 nM
109 IC50 > 20000 nM
110 IC50 > 60000 nM
111 IC50 > 100000 nM
112 Ki = 400 nM
113 Ki = 500 nM
114 Ki = 7000 nM
115 Ki = 9000 nM
116 Ki = 10000 nM
117 Ki = 18000 nM
118 Ki = 36000 nM
CP0077991
(HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione
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C14H16N2O4S
 3
1 EC50 = 7000 nM
2 IC50 = 17000 nM
3 IC50 > 6000 nM
CP0225156
7-[2-(1H-Imidazol-l-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
   Show/Hide
C23H25N5O
 1
1 IC50 = 0.6 nM
CP0053192
3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-ethyl-6-methylpyridin-2(1H)-one
   Show/Hide
C16H15Cl2N3O2
 24
1 IC50 = 1 nM
2 IC50 = 19 nM
3 IC50 = 20 nM
4 IC50 = 35 nM
5 IC50 = 100 nM
6 IC50 = 110 nM
7 IC50 = 130 nM
8 IC50 = 150 nM
9 IC50 = 220 nM
10 IC50 = 230 nM
11 IC50 = 270 nM
12 IC50 = 280 nM
13 IC50 = 290 nM
14 IC50 = 320 nM
15 IC50 = 430 nM
16 IC50 = 800 nM
17 IC50 = 850 nM
18 IC50 = 1405 nM
19 IC50 = 1600 nM
20 IC50 = 2700 nM
21 IC50 = 7700 nM
22 IC50 = 15000 nM
23 IC50 > 10000 nM
24 IC50 > 60000 nM
CP0178189
5-ethyl-3-[2-methoxyethyl(methyl)amino]-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
   Show/Hide
C20H28N2O2
 1
1 IC50 = 1 nM
CP0251262
(E)-3-[3-[[3-ethyl-5-[2-methoxyethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]phenyl]prop-2-enenitrile
   Show/Hide
C22H27N3O2
 1
1 IC50 = 1 nM
CP0251263
(E)-3-[3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]phenyl]prop-2-enenitrile
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C21H25N3O
 1
1 IC50 = 1 nM
CP0146025
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-[2-methoxyethyl(methyl)amino]-6-methyl-1H-pyridin-2-one
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C21H30N2O2
 1
1 IC50 = 2 nM
CP0364326
5-ethyl-3-[3-hydroxypropyl(methyl)amino]-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
   Show/Hide
C20H28N2O2
 1
1 IC50 = 3 nM
CP0158455
2-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]-methylamino]acetonitrile
   Show/Hide
C19H23N3O
 1
1 IC50 = 4 nM
CP0158457
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-[5-hydroxypentyl(methyl)amino]-6-methyl-1H-pyridin-2-one
   Show/Hide
C23H34N2O2
 1
1 IC50 = 4 nM
CP0360268
4-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]-methylamino]butanenitrile
   Show/Hide
C21H27N3O
 1
1 IC50 = 5 nM
CP0146027
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-[1-methoxypropan-2-yl(methyl)amino]-6-methyl-1H-pyridin-2-one
   Show/Hide
C22H32N2O2
 1
1 IC50 = 6 nM
CP0283107
Nomilin
   Show/Hide
C28H34O9
 1
1 IC50 = 6.646326 nM
CP0057542
BHAP deriv.
   Show/Hide
C22H28N6O3S
 18
1 IC50 = 8 nM
2 IC50 = 9 nM
3 IC50 = 21 nM
4 IC50 = 36 nM
5 IC50 = 56 nM
6 IC50 = 170 nM
7 IC50 = 260 nM
8 IC50 = 394.244037 nM
9 IC50 = 422 nM
10 IC50 = 657.073395 nM
11 IC50 = 1100 nM
12 IC50 = 1200 nM
13 IC50 = 1500 nM
14 IC50 = 4292.879515 nM
15 IC50 = 6660 nM
16 IC50 = 8300 nM
17 IC50 = 8320 nM
18 IC50 = 18000 nM
CP0159580
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-[ethyl(methyl)amino]-6-methyl-1H-pyridin-2-one
   Show/Hide
C20H28N2O
 1
1 IC50 = 8 nM
CP0692447
Limonin
   Show/Hide
C26H30O8
 1
1 IC50 = 8.990054 nM
CP0159581
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-(methylamino)-1H-pyridin-2-one
   Show/Hide
C18H24N2O
 1
1 IC50 = 10 nM
CP0251265
5-ethyl-3-[5-hydroxypentyl(methyl)amino]-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
   Show/Hide
C22H32N2O2
 1
1 IC50 = 10 nM
CP0158456
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-pyrrol-1-yl-1H-pyridin-2-one
   Show/Hide
C21H24N2O
 1
1 IC50 = 12.6 nM
CP0360269
3-[2-ethoxyethyl(methyl)amino]-5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
   Show/Hide
C21H30N2O2
 1
1 IC50 = 13 nM
CP0047721
3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]thiourea hydrochloride
   Show/Hide
C13H13BrN4S
 11
1 IC50 = 15 nM
2 IC50 = 430 nM
3 IC50 = 600 nM
4 IC50 = 700 nM
5 IC50 = 800 nM
6 IC50 = 1030 nM
7 IC50 = 1060 nM
8 IC50 = 2500 nM
9 IC50 = 3200 nM
10 IC50 = 4200 nM
11 Ki = 600 nM
CP0146024
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-(ethylamino)-6-methyl-1H-pyridin-2-one
   Show/Hide
C19H26N2O
 1
1 IC50 = 16 nM
CP0159579
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-[methyl(propyl)amino]-1H-pyridin-2-one
   Show/Hide
C21H30N2O
 1
1 IC50 = 16 nM
CP0251266
3-(diethylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
   Show/Hide
C21H30N2O
 1
1 IC50 = 16 nM
CP0262551
3-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]-methylamino]propanenitrile
   Show/Hide
C20H25N3O
 1
1 IC50 = 16 nM
CP0153531
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-(propylamino)-1H-pyridin-2-one
   Show/Hide
C20H28N2O
 1
1 IC50 = 20 nM
CP0158704
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-[methyl(3-methylsulfanylpropyl)amino]-1H-pyridin-2-one
   Show/Hide
C22H32N2OS
 1
1 IC50 = 25 nM
CP0064175
Combivir
   Show/Hide
C10H16N5O13P3
 16
1 IC50 = 43 nM
2 IC50 = 54 nM
3 IC50 = 80 nM
4 IC50 = 130 nM
5 IC50 = 236.60239 nM
6 IC50 = 300 nM
7 IC50 = 320 nM
8 IC50 = 360 nM
9 IC50 = 420 nM
10 IC50 = 2100 nM
11 IC50 = 7000 nM
12 Kd = 1990 nM
13 Kd = 2000 nM
14 Kd = 55000 nM
15 Ki = 41 nM
16 Ki = 91 nM
CP0229234
4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzenesulfonamide
   Show/Hide
C27H28N6O3S2
 8
1 IC50 = 71 nM
2 IC50 = 76 nM
3 IC50 = 92 nM
4 IC50 = 126 nM
5 IC50 = 162 nM
6 IC50 = 200 nM
7 IC50 = 215 nM
8 IC50 = 222 nM
CP0153532
4-(3,5-Dimethylbenzyl)-5-ethyl-3-formamido-6-methylpyridin-2(1H)-one
   Show/Hide
C18H22N2O2
 2
1 IC50 = 79 nM
2 IC50 = 200 nM
CP0333020
7-[5-methyl-2-(1H-pyrrol-1-yl)imidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-one
   Show/Hide
C24H26N4O
 1
1 IC50 = 80 nM
CP0763949
7-(5-Methyl-2-methylsulfanyl-imidazo[1,5-b]pyridazin-7-yl)-1-phenyl-heptan-1-one hydrochloride
   Show/Hide
C21H26ClN3OS
 1
1 IC50 = 80 nM
CP0132912
4-[[4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzenesulfonamide
   Show/Hide
C29H30N6O3S2
 8
1 IC50 = 99 nM
2 IC50 = 101 nM
3 IC50 = 106 nM
4 IC50 = 107 nM
5 IC50 = 149 nM
6 IC50 = 191 nM
7 IC50 = 301 nM
8 IC50 = 350 nM
CP0225177
7-[5-methyl-2-(5-methyl-1H-imidazol-1-yl)imidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-one
   Show/Hide
C24H27N5O
 1
1 IC50 = 100 nM
CP0504833
7-[5-methyl-2-(1H-1,2,4-triazol-1-yl)imidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-one
   Show/Hide
C22H24N6O
 1
1 IC50 = 100 nM
CP0043259
3-Amino-4-(3,5-dimethylbenzyl)-5-ethyl-6-methylpyridin-2(1H)-one
   Show/Hide
C17H22N2O
 1
1 IC50 = 100 nM
CP0364329
3-(butylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
   Show/Hide
C21H30N2O
 1
1 IC50 = 126 nM
CP0364328
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-morpholin-4-yl-1H-pyridin-2-one
   Show/Hide
C21H28N2O2
 1
1 IC50 = 158 nM
CP0306461
7-[2-(1H-imidazol-1-yl)-5-methylimidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-ol
   Show/Hide
C23H27N5O
 1
1 IC50 = 230 nM
CP0146023
3-(benzylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
   Show/Hide
C24H28N2O
 1
1 IC50 = 251 nM
CP0167668
7-[2-(Dimethylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-l-phenyl-l-heptanone
   Show/Hide
C22H28N4O
 1
1 IC50 = 270 nM
CP0333381
7-{2-chloroimidazo[1,5-a]pyridazin-7-yl}-1-phenylheptan-1-one
   Show/Hide
C19H20ClN3O
 1
1 IC50 = 340 nM
CP0306561
( 1RS)-2-Chloro-5-methyl-alpha-phenyl-7-imidazo[1,5-b]pyridazineheptanol Hydrochloride
   Show/Hide
C20H24ClN3O
 1
1 IC50 = 380 nM
CP0036865
Atripla
   Show/Hide
C9H14N5O4P
 4
1 IC50 = 380 nM
2 Kd = 3200 nM
3 Km = 1000000 nM
4 Km = 1900000 nM
CP0192708
N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]acetamide
   Show/Hide
C19H24N2O2
 1
1 IC50 = 398 nM
CP0149836
7-[5-methyl-2-(4-methyl-1H-imidazol-1-yl)imidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-one
   Show/Hide
C24H27N5O
 1
1 IC50 = 550 nM
CP0113395
7-(5-Methylimidazo[1,5-b]pyridazin-7-yl)-l-phenyl-l-heptanone Hydrochloride
   Show/Hide
C20H23N3O
 1
1 IC50 = 560 nM
CP0141639
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
   Show/Hide
C24H43N3O8SSi2
 3
1 IC50 = 627.267487 nM
2 IC50 = 3600 nM
3 IC50 = 6103.143119 nM
CP0158702
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-piperidin-1-yl-1H-pyridin-2-one
   Show/Hide
C22H30N2O
 1
1 IC50 = 631 nM
CP0298940
7-[5-methyl-2-(1H-1,2,3-triazol-1-yl)imidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-one
   Show/Hide
C22H24N6O
 1
1 IC50 = 640 nM
CP0698090
7-(2-Methoxy-5-methyl-imidazo[1,5-b]pyridazin-7-yl)-1-phenyl-heptan-1-one hydrochloride
   Show/Hide
C21H26ClN3O2
 1
1 IC50 = 640 nM
CP0096367
1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
   Show/Hide
C25H45N3O8SSi2
 7
1 IC50 = 695.490901 nM
2 IC50 = 1300 nM
3 IC50 = 2400 nM
4 IC50 = 3100 nM
5 IC50 = 4636.606004 nM
6 IC50 = 5700 nM
7 IC50 > 100000 nM
CP0167670
7-(2-Chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
   Show/Hide
C20H22ClN3O
 1
1 IC50 = 840 nM
CP0221683
2-[3-[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
   Show/Hide
C24H44N2O7Si2
 4
1 IC50 = 1100 nM
2 IC50 = 5700 nM
3 IC50 = 33800 nM
4 IC50 = 47400 nM
CP0212146
7-{2-chloro-5-ethylimidazo[1,5-a]pyridazin-7-yl}-1-phenylheptan-1-one
   Show/Hide
C21H24ClN3O
 1
1 IC50 = 2000 nM
CP0225162
7-[5-(benzyloxy)pentyl]-2-chloro-5-methylimidazo[1,5-a]pyridazine
   Show/Hide
C19H22ClN3O
 1
1 IC50 = 2300 nM
CP0103806
(4-Chloro-phenyl)-(furan-2-carbonyl)-thiocarbamic acid O-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl] ester
   Show/Hide
C22H15ClN2O5S
 1
1 IC50 = 2300 nM
CP0149925
7-[5-methyl-2-(2-methyl-1H-imidazol-1-yl)imidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-one
   Show/Hide
C24H27N5O
 1
1 IC50 = 2500 nM
CP0281570
(4-Chloro-phenyl)-(thiophene-2-carbonyl)-thiocarbamic acid O-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl] ester
   Show/Hide
C22H15ClN2O4S2
 1
1 IC50 = 2500 nM
CP0221950
7-[5-methyl-2-(4H-1,2,4-triazol-4-yl)imidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-one
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C22H24N6O
 1
1 IC50 = 2600 nM
CP0285577
7-(2-Amino-5-methylimidazo[1,5-b]pyridazin-7-yl)-l-phenyl-1-heptanone
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C20H24N4O
 1
1 IC50 = 3000 nM
CP0306834
8-{2-chloro-5-methylimidazo[1,5-a]pyridazin-7-yl}-1-phenyloctan-1-one
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C21H24ClN3O
 1
1 IC50 = 3000 nM
CP0090416
5-bromo-6-[2-(4-cyanoanilino)pyrimidin-4-yl]oxynaphthalene-2-carbonitrile
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C22H12BrN5O
 1
1 IC50 = 3007.144795 nM
CP0044454
7-[5-methyl-2-(methylamino)imidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-one
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C21H26N4O
 1
1 IC50 = 3400 nM
CP0264643
7-[5-methyl-2-(1H-pyrazol-1-yl)imidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-one
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C23H25N5O
 1
1 IC50 = 3400 nM
CP0082036
1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-iodo-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione
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C24H42IN3O8SSi2
 2
1 IC50 = 3500 nM
2 IC50 = 8000 nM
CP0250707
7-{2-chloro-5-methylimidazo[1,5-a]pyridazin-7-yl}-1-phenylheptan-2-one
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C20H22ClN3O
 1
1 IC50 = 3900 nM
CP0262552
N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]propanamide
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C20H26N2O2
 1
1 IC50 = 3981 nM
CP0777067
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-(3-hydroxy-propenyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione
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C27H47N3O9SSi2
 2
1 IC50 = 4800 nM
2 IC50 = 16000 nM
CP0149785
2-[3-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
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C24H44N2O8Si2
 1
1 IC50 = 6600 nM
CP0082015
3-(dibutylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
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C25H38N2O
 1
1 IC50 = 50119 nM
CP0146022
3-(dibenzylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
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C31H34N2O
 1
1 IC50 = 100000 nM
CP0251267
N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]butanamide
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C21H28N2O2
 1
1 IC50 = 100000 nM
CP0051313
3TC Triphosphate
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C8H14N3O12P3S
 3
1 Kd = 130 nM
2 Kd = 370 nM
3 Ki = 188 nM
CP0121940
4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one
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C9H13N3O3
 1
1 Ki = 51 nM