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PubMed code 16884295

Compile data set for download or QSAR
Found 48 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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192297
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES CCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |c:27|
Show InChI InChI=1S/C27H49N3O8SSi2/c1-13-14-29-22(31)18(2)15-30(24(29)32)23-21(37-41(11,12)26(6,7)8)27(19(28)17-39(33,34)38-27)20(36-23)16-35-40(9,10)25(3,4)5/h15,17,20-21,23H,13-14,16,28H2,1-12H3/t20-,21+,23-,27-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192291
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(\C=C\CO)c1=O |c:21|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-18-15-30(24(33)29(22(18)32)13-12-14-31)23-21(38-42(10,11)26(5,6)7)27(19(28)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h12-13,15,17,20-21,23,31H,14,16,28H2,1-11H3/b13-12+/t20-,21+,23-,27-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50100110
PNG
(1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO)c1=O |c:21|
Show InChI InChI=1S/C27H49N3O9SSi2/c1-18-15-30(24(33)29(22(18)32)13-12-14-31)23-21(38-42(10,11)26(5,6)7)27(19(28)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h15,17,20-21,23,31H,12-14,16,28H2,1-11H3
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n/an/a 700n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50175613
PNG
(1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2ccccc2)c1=O |c:21|
Show InChI InChI=1S/C32H51N3O8SSi2/c1-22-19-35(29(37)34(27(22)36)18-17-23-15-13-12-14-16-23)28-26(42-46(10,11)31(5,6)7)32(24(33)21-44(38,39)43-32)25(41-28)20-40-45(8,9)30(2,3)4/h12-16,19,21,25-26,28H,17-18,20,33H2,1-11H3
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n/an/a 800n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50169035
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |c:21|
Show InChI InChI=1S/C24H43N3O8SSi2/c1-15-12-27(21(29)26-19(15)28)20-18(34-38(10,11)23(5,6)7)24(16(25)14-36(30,31)35-24)17(33-20)13-32-37(8,9)22(2,3)4/h12,14,17-18,20H,13,25H2,1-11H3,(H,26,28,29)/t17-,18+,20-,24-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50106919
PNG
(CHEMBL105018 | {3-[3-(tert-Butyl-dimethyl-silanylo...)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)CC2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O
Show InChI InChI=1S/C24H44N2O7Si2/c1-16-13-26(22(30)25(20(16)29)14-19(27)28)21-18(33-35(10,11)24(5,6)7)12-17(32-21)15-31-34(8,9)23(2,3)4/h13,17-18,21H,12,14-15H2,1-11H3,(H,27,28)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192289
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O |c:21|
Show InChI InChI=1S/C25H45N3O8SSi2/c1-16-13-28(22(30)27(8)20(16)29)21-19(35-39(11,12)24(5,6)7)25(17(26)15-37(31,32)36-25)18(34-21)14-33-38(9,10)23(2,3)4/h13,15,18-19,21H,14,26H2,1-12H3/t18-,19+,21-,25-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192302
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(\C=C/CO)c1=O |c:21|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-18-15-30(24(33)29(22(18)32)13-12-14-31)23-21(38-42(10,11)26(5,6)7)27(19(28)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h12-13,15,17,20-21,23,31H,14,16,28H2,1-11H3/b13-12-/t20-,21+,23-,27-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50100110
PNG
(1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO)c1=O |c:21|
Show InChI InChI=1S/C27H49N3O9SSi2/c1-18-15-30(24(33)29(22(18)32)13-12-14-31)23-21(38-42(10,11)26(5,6)7)27(19(28)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h15,17,20-21,23,31H,12-14,16,28H2,1-11H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50175617
PNG
(2-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(N)=O)c1=O |c:21|
Show InChI InChI=1S/C26H46N4O9SSi2/c1-16-12-30(23(33)29(21(16)32)13-19(28)31)22-20(38-42(10,11)25(5,6)7)26(17(27)15-40(34,35)39-26)18(37-22)14-36-41(8,9)24(2,3)4/h12,15,18,20,22H,13-14,27H2,1-11H3,(H2,28,31)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192291
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(\C=C\CO)c1=O |c:21|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-18-15-30(24(33)29(22(18)32)13-12-14-31)23-21(38-42(10,11)26(5,6)7)27(19(28)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h12-13,15,17,20-21,23,31H,14,16,28H2,1-11H3/b13-12+/t20-,21+,23-,27-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192296
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC2CO2)c1=O |c:21|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-17-12-30(24(32)29(22(17)31)13-18-14-35-18)23-21(38-42(10,11)26(5,6)7)27(19(28)16-40(33,34)39-27)20(37-23)15-36-41(8,9)25(2,3)4/h12,16,18,20-21,23H,13-15,28H2,1-11H3/t18?,20-,21+,23-,27-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50175613
PNG
(1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2ccccc2)c1=O |c:21|
Show InChI InChI=1S/C32H51N3O8SSi2/c1-22-19-35(29(37)34(27(22)36)18-17-23-15-13-12-14-16-23)28-26(42-46(10,11)31(5,6)7)32(24(33)21-44(38,39)43-32)25(41-28)20-40-45(8,9)30(2,3)4/h12-16,19,21,25-26,28H,17-18,20,33H2,1-11H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192304
PNG
((S)-2-(2-{3-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-d...)
Show SMILES C[C@H](NC(=O)Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O)C(O)=O |c:30|
Show InChI InChI=1S/C29H50N4O11SSi2/c1-17-13-33(26(38)32(23(17)35)14-21(34)31-18(2)25(36)37)24-22(43-47(11,12)28(6,7)8)29(19(30)16-45(39,40)44-29)20(42-24)15-41-46(9,10)27(3,4)5/h13,16,18,20,22,24H,14-15,30H2,1-12H3,(H,31,34)(H,36,37)/t18-,20+,22-,24+,29+/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192302
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(\C=C/CO)c1=O |c:21|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-18-15-30(24(33)29(22(18)32)13-12-14-31)23-21(38-42(10,11)26(5,6)7)27(19(28)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h12-13,15,17,20-21,23,31H,14,16,28H2,1-11H3/b13-12-/t20-,21+,23-,27-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50175628
PNG
(BDBM50192299 | CHEMBL379599 | {3-[4-Amino-9-(tert-...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O |c:21|
Show InChI InChI=1S/C26H45N3O10SSi2/c1-16-12-29(23(33)28(21(16)32)13-19(30)31)22-20(38-42(10,11)25(5,6)7)26(17(27)15-40(34,35)39-26)18(37-22)14-36-41(8,9)24(2,3)4/h12,15,18,20,22H,13-14,27H2,1-11H3,(H,30,31)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50175609
PNG
(5-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...)
Show SMILES CNC(=O)CCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |c:32|
Show InChI InChI=1S/C30H54N4O9SSi2/c1-20-17-34(27(37)33(25(20)36)16-14-13-15-23(35)32-8)26-24(42-46(11,12)29(5,6)7)30(21(31)19-44(38,39)43-30)22(41-26)18-40-45(9,10)28(2,3)4/h17,19,22,24,26H,13-16,18,31H2,1-12H3,(H,32,35)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192306
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES CCc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |c:22|
Show InChI InChI=1S/C25H45N3O8SSi2/c1-12-16-13-28(22(30)27-20(16)29)21-19(35-39(10,11)24(5,6)7)25(17(26)15-37(31,32)36-25)18(34-21)14-33-38(8,9)23(2,3)4/h13,15,18-19,21H,12,14,26H2,1-11H3,(H,27,29,30)/t18-,19+,21-,25-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192293
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(I)=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |c:22|
Show InChI InChI=1S/C24H42IN3O8SSi2/c1-14-12-28(21(30)27-19(14)29)20-17(35-39(10,11)23(5,6)7)24(16(26)18(25)37(31,32)36-24)15(34-20)13-33-38(8,9)22(2,3)4/h12,15,17,20H,13,26H2,1-11H3,(H,27,29,30)/t15-,17+,20-,24+/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192287
PNG
(CHEMBL212868 | N-[(5R,6R,8R,9R)-9-(tert-butyl-dime...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N=C(N)N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |wU:4.3,6.6,wD:16.16,27.29,c:21,(26.69,-32.35,;25.2,-31.95,;24.12,-33.04,;22.64,-32.64,;21.56,-33.73,;20.02,-33.5,;19.34,-34.88,;17.8,-34.88,;17.04,-33.54,;15.49,-33.54,;15.49,-35.08,;15.49,-32.01,;13.96,-33.54,;12.42,-33.54,;13.96,-35.08,;13.96,-32.01,;20.45,-35.94,;21.56,-37.01,;20.89,-38.38,;20.52,-39.88,;22.35,-38.9,;19.37,-38.17,;19.09,-36.64,;17.61,-36.21,;16.5,-37.28,;15.01,-36.85,;16.86,-38.78,;21.82,-35.23,;23.61,-36.11,;24.9,-35.27,;25.75,-36.55,;24.05,-33.98,;26.18,-34.41,;27.03,-35.69,;25.32,-33.13,;27.46,-33.56,;22.23,-31.16,;20.73,-30.77,;23.32,-30.07,;24.8,-30.47,;25.9,-29.37,)|
Show InChI InChI=1S/C25H45N5O8SSi2/c1-15-12-30(22(32)29-19(15)31)20-18(37-41(10,11)24(5,6)7)25(16(28-21(26)27)14-39(33,34)38-25)17(36-20)13-35-40(8,9)23(2,3)4/h12,14,17-18,20H,13H2,1-11H3,(H4,26,27,28)(H,29,31,32)/t17-,18+,20-,25-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192297
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES CCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |c:27|
Show InChI InChI=1S/C27H49N3O8SSi2/c1-13-14-29-22(31)18(2)15-30(24(29)32)23-21(37-41(11,12)26(6,7)8)27(19(28)17-39(33,34)38-27)20(36-23)16-35-40(9,10)25(3,4)5/h15,17,20-21,23H,13-14,16,28H2,1-12H3/t20-,21+,23-,27-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192301
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN)c1=O |c:21|
Show InChI InChI=1S/C27H50N4O8SSi2/c1-18-15-31(24(33)30(22(18)32)14-12-13-28)23-21(38-42(10,11)26(5,6)7)27(19(29)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h15,17,20-21,23H,12-14,16,28-29H2,1-11H3/t20-,21+,23-,27-/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192294
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(=CCCO)C3=N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |w:22.22|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-17-15-30(24(33)29-22(17)32)23-21(38-42(10,11)26(5,6)7)27(19(37-23)16-36-41(8,9)25(2,3)4)20(28)18(13-12-14-31)40(34,35)39-27/h13,15,19,21,23,28,31H,12,14,16H2,1-11H3,(H,29,32,33)/t19-,21+,23-,27+/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192296
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC2CO2)c1=O |c:21|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-17-12-30(24(32)29(22(17)31)13-18-14-35-18)23-21(38-42(10,11)26(5,6)7)27(19(28)16-40(33,34)39-27)20(37-23)15-36-41(8,9)25(2,3)4/h12,16,18,20-21,23H,13-15,28H2,1-11H3/t18?,20-,21+,23-,27-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50175626
PNG
(BDBM50192300 | CHEMBL378474 | [(3-{3-[4-Amino-9-(t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN(CC(O)=O)CC(O)=O)c1=O |c:21|
Show InChI InChI=1S/C31H54N4O12SSi2/c1-20-15-35(28(41)34(26(20)40)14-12-13-33(16-23(36)37)17-24(38)39)27-25(46-50(10,11)30(5,6)7)31(21(32)19-48(42,43)47-31)22(45-27)18-44-49(8,9)29(2,3)4/h15,19,22,25,27H,12-14,16-18,32H2,1-11H3,(H,36,37)(H,38,39)
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192290
PNG
(CHEMBL379337 | N-[(5R,6R,8R,9R)-6-benzyloxymethyl-...)
Show SMILES COC(=O)C(=O)NC1=CS(=O)(=O)O[C@@]11[C@@H](COCc2ccccc2)O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)n1cc(C)c(=O)n(C)c1=O |t:7|
Show InChI InChI=1S/C29H39N3O11SSi/c1-18-14-32(27(36)31(5)24(18)34)25-22(42-45(7,8)28(2,3)4)29(21(41-25)16-40-15-19-12-10-9-11-13-19)20(17-44(37,38)43-29)30-23(33)26(35)39-6/h9-14,17,21-22,25H,15-16H2,1-8H3,(H,30,33)/t21-,22+,25-,29-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50175628
PNG
(BDBM50192299 | CHEMBL379599 | {3-[4-Amino-9-(tert-...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O |c:21|
Show InChI InChI=1S/C26H45N3O10SSi2/c1-16-12-29(23(33)28(21(16)32)13-19(30)31)22-20(38-42(10,11)25(5,6)7)26(17(27)15-40(34,35)39-26)18(37-22)14-36-41(8,9)24(2,3)4/h12,15,18,20,22H,13-14,27H2,1-11H3,(H,30,31)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50106919
PNG
(CHEMBL105018 | {3-[3-(tert-Butyl-dimethyl-silanylo...)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)CC2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O
Show InChI InChI=1S/C24H44N2O7Si2/c1-16-13-26(22(30)25(20(16)29)14-19(27)28)21-18(33-35(10,11)24(5,6)7)12-17(32-21)15-31-34(8,9)23(2,3)4/h13,17-18,21H,12,14-15H2,1-11H3,(H,27,28)
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192289
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O |c:21|
Show InChI InChI=1S/C25H45N3O8SSi2/c1-16-13-28(22(30)27(8)20(16)29)21-19(35-39(11,12)24(5,6)7)25(17(26)15-37(31,32)36-25)18(34-21)14-33-38(9,10)23(2,3)4/h13,15,18-19,21H,14,26H2,1-12H3/t18-,19+,21-,25-/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192288
PNG
(3-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES CN(C)C(=O)c1cnnn1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@H]1O[Si](C)(C)C(C)(C)C |c:28|
Show InChI InChI=1S/C24H45N5O7SSi2/c1-22(2,3)38(9,10)33-14-18-24(17(25)15-37(31,32)36-24)19(35-39(11,12)23(4,5)6)21(34-18)29-16(13-26-27-29)20(30)28(7)8/h13,15,18-19,21H,14,25H2,1-12H3/t18-,19+,21-,24-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50024581
PNG
(CHEMBL3142813)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O |r|
Show InChI InChI=1/C24H44N2O8Si2/c1-15-12-26(22(31)25(20(15)30)13-17(27)28)21-19(34-36(10,11)24(5,6)7)18(29)16(33-21)14-32-35(8,9)23(2,3)4/h12,16,18-19,21,29H,13-14H2,1-11H3,(H,27,28)/t16-,18-,19-,21-/s2
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50024581
PNG
(CHEMBL3142813)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O |r|
Show InChI InChI=1/C24H44N2O8Si2/c1-15-12-26(22(31)25(20(15)30)13-17(27)28)21-19(34-36(10,11)24(5,6)7)18(29)16(33-21)14-32-35(8,9)23(2,3)4/h12,16,18-19,21,29H,13-14H2,1-11H3,(H,27,28)/t16-,18-,19-,21-/s2
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50169035
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |c:21|
Show InChI InChI=1S/C24H43N3O8SSi2/c1-15-12-27(21(29)26-19(15)28)20-18(34-38(10,11)23(5,6)7)24(16(25)14-36(30,31)35-24)17(33-20)13-32-37(8,9)22(2,3)4/h12,14,17-18,20H,13,25H2,1-11H3,(H,26,28,29)/t17-,18+,20-,24-/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50175609
PNG
(5-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...)
Show SMILES CNC(=O)CCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |c:32|
Show InChI InChI=1S/C30H54N4O9SSi2/c1-20-17-34(27(37)33(25(20)36)16-14-13-15-23(35)32-8)26-24(42-46(11,12)29(5,6)7)30(21(31)19-44(38,39)43-30)22(41-26)18-40-45(9,10)28(2,3)4/h17,19,22,24,26H,13-16,18,31H2,1-12H3,(H,32,35)
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50175617
PNG
(2-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(N)=O)c1=O |c:21|
Show InChI InChI=1S/C26H46N4O9SSi2/c1-16-12-30(23(33)29(21(16)32)13-19(28)31)22-20(38-42(10,11)25(5,6)7)26(17(27)15-40(34,35)39-26)18(37-22)14-36-41(8,9)24(2,3)4/h12,15,18,20,22H,13-14,27H2,1-11H3,(H2,28,31)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192301
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN)c1=O |c:21|
Show InChI InChI=1S/C27H50N4O8SSi2/c1-18-15-31(24(33)30(22(18)32)14-12-13-28)23-21(38-42(10,11)26(5,6)7)27(19(29)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h15,17,20-21,23H,12-14,16,28-29H2,1-11H3/t20-,21+,23-,27-/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192290
PNG
(CHEMBL379337 | N-[(5R,6R,8R,9R)-6-benzyloxymethyl-...)
Show SMILES COC(=O)C(=O)NC1=CS(=O)(=O)O[C@@]11[C@@H](COCc2ccccc2)O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)n1cc(C)c(=O)n(C)c1=O |t:7|
Show InChI InChI=1S/C29H39N3O11SSi/c1-18-14-32(27(36)31(5)24(18)34)25-22(42-45(7,8)28(2,3)4)29(21(41-25)16-40-15-19-12-10-9-11-13-19)20(17-44(37,38)43-29)30-23(33)26(35)39-6/h9-14,17,21-22,25H,15-16H2,1-8H3,(H,30,33)/t21-,22+,25-,29-/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192293
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(I)=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |c:22|
Show InChI InChI=1S/C24H42IN3O8SSi2/c1-14-12-28(21(30)27-19(14)29)20-17(35-39(10,11)23(5,6)7)24(16(26)18(25)37(31,32)36-24)15(34-20)13-33-38(8,9)22(2,3)4/h12,15,17,20H,13,26H2,1-11H3,(H,27,29,30)/t15-,17+,20-,24+/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192307
PNG
(3-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@]11OS(=O)(=O)C=C1N)n1nncc1C(N)=O |c:27|
Show InChI InChI=1S/C22H41N5O7SSi2/c1-20(2,3)36(7,8)31-12-16-22(15(23)13-35(29,30)34-22)17(33-37(9,10)21(4,5)6)19(32-16)27-14(18(24)28)11-25-26-27/h11,13,16-17,19H,12,23H2,1-10H3,(H2,24,28)/t16-,17+,19-,22-/m1/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192306
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES CCc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |c:22|
Show InChI InChI=1S/C25H45N3O8SSi2/c1-12-16-13-28(22(30)27-20(16)29)21-19(35-39(10,11)24(5,6)7)25(17(26)15-37(31,32)36-25)18(34-21)14-33-38(8,9)23(2,3)4/h13,15,18-19,21H,12,14,26H2,1-11H3,(H,27,29,30)/t18-,19+,21-,25-/m1/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192292
PNG
((S)-2-(2-{3-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-d...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)N[C@@H](CC(O)=O)C(O)=O)c1=O |c:21|
Show InChI InChI=1S/C30H50N4O13SSi2/c1-17-13-34(27(41)33(24(17)38)14-21(35)32-18(26(39)40)12-22(36)37)25-23(46-50(10,11)29(5,6)7)30(19(31)16-48(42,43)47-30)20(45-25)15-44-49(8,9)28(2,3)4/h13,16,18,20,23,25H,12,14-15,31H2,1-11H3,(H,32,35)(H,36,37)(H,39,40)/t18-,20+,23-,25+,30+/m0/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192307
PNG
(3-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@]11OS(=O)(=O)C=C1N)n1nncc1C(N)=O |c:27|
Show InChI InChI=1S/C22H41N5O7SSi2/c1-20(2,3)36(7,8)31-12-16-22(15(23)13-35(29,30)34-22)17(33-37(9,10)21(4,5)6)19(32-16)27-14(18(24)28)11-25-26-27/h11,13,16-17,19H,12,23H2,1-10H3,(H2,24,28)/t16-,17+,19-,22-/m1/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50175626
PNG
(BDBM50192300 | CHEMBL378474 | [(3-{3-[4-Amino-9-(t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN(CC(O)=O)CC(O)=O)c1=O |c:21|
Show InChI InChI=1S/C31H54N4O12SSi2/c1-20-15-35(28(41)34(26(20)40)14-12-13-33(16-23(36)37)17-24(38)39)27-25(46-50(10,11)30(5,6)7)31(21(32)19-48(42,43)47-31)22(45-27)18-44-49(8,9)29(2,3)4/h15,19,22,25,27H,12-14,16-18,32H2,1-11H3,(H,36,37)(H,38,39)
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n/an/a 1.06E+4n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192288
PNG
(3-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES CN(C)C(=O)c1cnnn1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@H]1O[Si](C)(C)C(C)(C)C |c:28|
Show InChI InChI=1S/C24H45N5O7SSi2/c1-22(2,3)38(9,10)33-14-18-24(17(25)15-37(31,32)36-24)19(35-39(11,12)23(4,5)6)21(34-18)29-16(13-26-27-29)20(30)28(7)8/h13,15,18-19,21H,14,25H2,1-12H3/t18-,19+,21-,24-/m1/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192292
PNG
((S)-2-(2-{3-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-d...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)N[C@@H](CC(O)=O)C(O)=O)c1=O |c:21|
Show InChI InChI=1S/C30H50N4O13SSi2/c1-17-13-34(27(41)33(24(17)38)14-21(35)32-18(26(39)40)12-22(36)37)25-23(46-50(10,11)29(5,6)7)30(19(31)16-48(42,43)47-30)20(45-25)15-44-49(8,9)28(2,3)4/h13,16,18,20,23,25H,12,14-15,31H2,1-11H3,(H,32,35)(H,36,37)(H,39,40)/t18-,20+,23-,25+,30+/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192304
PNG
((S)-2-(2-{3-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-d...)
Show SMILES C[C@H](NC(=O)Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O)C(O)=O |c:30|
Show InChI InChI=1S/C29H50N4O11SSi2/c1-17-13-33(26(38)32(23(17)35)14-21(34)31-18(2)25(36)37)24-22(43-47(11,12)28(6,7)8)29(19(30)16-45(39,40)44-29)20(42-24)15-41-46(9,10)27(3,4)5/h13,16,18,20,22,24H,14-15,30H2,1-12H3,(H,31,34)(H,36,37)/t18-,20+,22-,24+,29+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192287
PNG
(CHEMBL212868 | N-[(5R,6R,8R,9R)-9-(tert-butyl-dime...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N=C(N)N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |wU:4.3,6.6,wD:16.16,27.29,c:21,(26.69,-32.35,;25.2,-31.95,;24.12,-33.04,;22.64,-32.64,;21.56,-33.73,;20.02,-33.5,;19.34,-34.88,;17.8,-34.88,;17.04,-33.54,;15.49,-33.54,;15.49,-35.08,;15.49,-32.01,;13.96,-33.54,;12.42,-33.54,;13.96,-35.08,;13.96,-32.01,;20.45,-35.94,;21.56,-37.01,;20.89,-38.38,;20.52,-39.88,;22.35,-38.9,;19.37,-38.17,;19.09,-36.64,;17.61,-36.21,;16.5,-37.28,;15.01,-36.85,;16.86,-38.78,;21.82,-35.23,;23.61,-36.11,;24.9,-35.27,;25.75,-36.55,;24.05,-33.98,;26.18,-34.41,;27.03,-35.69,;25.32,-33.13,;27.46,-33.56,;22.23,-31.16,;20.73,-30.77,;23.32,-30.07,;24.8,-30.47,;25.9,-29.37,)|
Show InChI InChI=1S/C25H45N5O8SSi2/c1-15-12-30(22(32)29-19(15)31)20-18(37-41(10,11)24(5,6)7)25(16(28-21(26)27)14-39(33,34)38-25)17(36-20)13-35-40(8,9)23(2,3)4/h12,14,17-18,20H,13H2,1-11H3,(H4,26,27,28)(H,29,31,32)/t17-,18+,20-,25-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192294
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(=CCCO)C3=N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |w:22.22|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-17-15-30(24(33)29-22(17)32)23-21(38-42(10,11)26(5,6)7)27(19(37-23)16-36-41(8,9)25(2,3)4)20(28)18(13-12-14-31)40(34,35)39-27/h13,15,19,21,23,28,31H,12,14,16H2,1-11H3,(H,29,32,33)/t19-,21+,23-,27+/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%