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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'velázquez' and Initial = 's'   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50144936
PNG
(CHEMBL1090 | VIDARABINE | adenine arabinoside)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1
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PubMed
n/an/a 62n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 from human Caco2 cells


J Med Chem 53: 559-72 (2010)


Article DOI: 10.1021/jm901590f
BindingDB Entry DOI: 10.7270/Q2P55NMC
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 560n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175620
PNG
(6-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...)
Show SMILES CNC(=O)CCCCCn1c(=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 |r,c:33|
Show InChI InChI=1S/C31H56N4O9SSi2/c1-21-18-35(28(38)34(26(21)37)17-15-13-14-16-24(36)33-8)27-25(43-47(11,12)30(5,6)7)31(22(32)20-45(39,40)44-31)23(42-27)19-41-46(9,10)29(2,3)4/h18,20,23,25,27H,13-17,19,32H2,1-12H3,(H,33,36)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175627
PNG
(1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(t...)
Show SMILES COCCn1c(=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 |r,c:28|
Show InChI InChI=1S/C27H49N3O9SSi2/c1-18-15-30(24(32)29(22(18)31)13-14-35-8)23-21(38-42(11,12)26(5,6)7)27(19(28)17-40(33,34)39-27)20(37-23)16-36-41(9,10)25(2,3)4/h15,17,20-21,23H,13-14,16,28H2,1-12H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 3.00E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175621
PNG
(CHEMBL3143760 | {3-[4-Amino-9-(tert-butyl-dimethyl...)
Show SMILES COC(=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 |r,c:29|
Show InChI InChI=1S/C27H47N3O10SSi2/c1-17-13-30(24(33)29(22(17)32)14-20(31)36-8)23-21(39-43(11,12)26(5,6)7)27(18(28)16-41(34,35)40-27)19(38-23)15-37-42(9,10)25(2,3)4/h13,16,19,21,23H,14-15,28H2,1-12H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175602
PNG
(2-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...)
Show SMILES CNC(=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 |r,c:29|
Show InChI InChI=1S/C27H48N4O9SSi2/c1-17-13-31(24(34)30(22(17)33)14-20(32)29-8)23-21(39-43(11,12)26(5,6)7)27(18(28)16-41(35,36)40-27)19(38-23)15-37-42(9,10)25(2,3)4/h13,16,19,21,23H,14-15,28H2,1-12H3,(H,29,32)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175618
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(CCO)c1=O |r,c:21|
Show InChI InChI=1S/C26H47N3O9SSi2/c1-17-14-29(23(32)28(12-13-30)21(17)31)22-20(37-41(10,11)25(5,6)7)26(18(27)16-39(33,34)38-26)19(36-22)15-35-40(8,9)24(2,3)4/h14,16,19-20,22,30H,12-13,15,27H2,1-11H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 3.10E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175604
PNG
(2-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...)
Show SMILES CN(C)C(=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 |r,c:30|
Show InChI InChI=1S/C28H50N4O9SSi2/c1-18-14-32(25(35)31(23(18)34)15-21(33)30(8)9)24-22(40-44(12,13)27(5,6)7)28(19(29)17-42(36,37)41-28)20(39-24)16-38-43(10,11)26(2,3)4/h14,17,20,22,24H,15-16,29H2,1-13H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 3.60E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of HIV-1 wild types GluL38-Lys recombinant reverse transcriptase


Bioorg Med Chem Lett 11: 3085-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QC02S2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50148763
PNG
(CHEMBL3142918 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
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(CCCOP(O)(=O)C(O)=O)c1=O |r,c:21|
Show InChI InChI=1S/C28H50N3O13PSSi2/c1-18-15-31(24(33)30(22(18)32)13-12-14-40-45(36,37)25(34)35)23-21(43-48(10,11)27(5,6)7)28(19(29)17-46(38,39)44-28)20(42-23)16-41-47(8,9)26(2,3)4/h15,17,20-21,23H,12-14,16,29H2,1-11H3,(H,34,35)(H,36,37)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50148764
PNG
(CHEMBL3142919 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
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(CCCOP(O)(=O)C(=O)OCc2ccccc2)c1=O |r,c:21|
Show InChI InChI=1S/C35H56N3O13PSSi2/c1-24-20-38(31(40)37(29(24)39)18-15-19-47-52(42,43)32(41)46-21-25-16-13-12-14-17-25)30-28(50-55(10,11)34(5,6)7)35(26(36)23-53(44,45)51-35)27(49-30)22-48-54(8,9)33(2,3)4/h12-14,16-17,20,23,27-28,30H,15,18-19,21-22,36H2,1-11H3,(H,42,43)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175607
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(C\C=C\CO)c1=O |r,c:21|
Show InChI InChI=1S/C28H49N3O9SSi2/c1-19-16-31(25(34)30(23(19)33)14-12-13-15-32)24-22(39-43(10,11)27(5,6)7)28(20(29)18-41(35,36)40-28)21(38-24)17-37-42(8,9)26(2,3)4/h12-13,16,18,21-22,24,32H,14-15,17,29H2,1-11H3/b13-12+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50148762
PNG
(CHEMBL3142917 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES [Na+].COC(=O)P([O-])(=O)OCCCn1c(=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 |r,c:35|
Show InChI InChI=1S/C29H52N3O13PSSi2/c1-19-16-32(25(34)31(23(19)33)14-13-15-41-46(36,37)26(35)40-8)24-22(44-49(11,12)28(5,6)7)29(20(30)18-47(38,39)45-29)21(43-24)17-42-48(9,10)27(2,3)4/h16,18,21-22,24H,13-15,17,30H2,1-12H3,(H,36,37)/p-1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50148760
PNG
(CHEMBL3142914 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES CCOC(=O)P(O)(=O)OCCCn1c(=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 |r,c:36|
Show InChI InChI=1S/C30H54N3O13PSSi2/c1-13-41-27(36)47(37,38)42-16-14-15-32-24(34)20(2)17-33(26(32)35)25-23(45-50(11,12)29(6,7)8)30(21(31)19-48(39,40)46-30)22(44-25)18-43-49(9,10)28(3,4)5/h17,19,22-23,25H,13-16,18,31H2,1-12H3,(H,37,38)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175623
PNG
(1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(t...)
Show SMILES CN(C)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 |r,c:30|
Show InChI InChI=1S/C29H54N4O8SSi2/c1-20-17-33(26(35)32(24(20)34)16-14-15-31(8)9)25-23(40-44(12,13)28(5,6)7)29(21(30)19-42(36,37)41-29)22(39-25)18-38-43(10,11)27(2,3)4/h17,19,22-23,25H,14-16,18,30H2,1-13H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 8.10E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 8.10E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50148761
PNG
(CHEMBL3142920 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES COC(=O)P(=O)(OC)OCCCn1c(=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 |r,c:36|
Show InChI InChI=1S/C30H54N3O13PSSi2/c1-20-17-33(26(35)32(24(20)34)15-14-16-42-47(37,41-9)27(36)40-8)25-23(45-50(12,13)29(5,6)7)30(21(31)19-48(38,39)46-30)22(44-25)18-43-49(10,11)28(2,3)4/h17,19,22-23,25H,14-16,18,31H2,1-13H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175622
PNG
((3-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-...)
Show SMILES [I-].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(CCC[N+](C)(C)C)c1=O |r,c:21|
Show InChI InChI=1S/C30H57N4O8SSi2/c1-21-18-33(27(36)32(25(21)35)16-15-17-34(8,9)10)26-24(41-45(13,14)29(5,6)7)30(22(31)20-43(37,38)42-30)23(40-26)19-39-44(11,12)28(2,3)4/h18,20,23-24,26H,15-17,19,31H2,1-14H3/q+1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50024403
PNG
(CHEMBL3143799)
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(CCCCO)c1=O |r,c:21|
Show InChI InChI=1S/C28H51N3O9SSi2/c1-19-16-31(25(34)30(23(19)33)14-12-13-15-32)24-22(39-43(10,11)27(5,6)7)28(20(29)18-41(35,36)40-28)21(38-24)17-37-42(8,9)26(2,3)4/h16,18,21-22,24,32H,12-15,17,29H2,1-11H3/t21-,22+,24-,28-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 1.50E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=O)P(O)(O)=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175616
PNG
(4-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...)
Show SMILES COC(=O)\C=C\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 |r,c:31|
Show InChI InChI=1S/C29H49N3O10SSi2/c1-19-16-32(26(35)31(24(19)34)15-13-14-22(33)38-8)25-23(41-45(11,12)28(5,6)7)29(20(30)18-43(36,37)42-29)21(40-25)17-39-44(9,10)27(2,3)4/h13-14,16,18,21,23,25H,15,17,30H2,1-12H3/b14-13+
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n/an/a 3.00E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 3.38E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of HIV-1 wild types GluL38-Lys recombinant reverse transcriptase


Bioorg Med Chem Lett 11: 3085-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QC02S2
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 4.74E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of HIV-1 wild types GluL38-Lys recombinant reverse transcriptase


Bioorg Med Chem Lett 11: 3085-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QC02S2
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=O)P(O)(O)=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(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>1.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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>1.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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=1S/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-/m1/s1
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n/an/a 1.38E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of HIV-1 wild types GluL38-Lys recombinant reverse transcriptase


Bioorg Med Chem Lett 11: 3085-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QC02S2
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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=1S/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-/m1/s1
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n/an/a 1.58E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of HIV-1 mutant GluL38-Lys recombinant reverse transcriptase


Bioorg Med Chem Lett 11: 3085-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QC02S2
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50106903
PNG
(CHEMBL3142817 | {3-[4-(tert-Butyl-dimethyl-silanyl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)c(=O)n(CC(O)=O)c1=O |r|
Show InChI InChI=1S/C24H44N2O8Si2/c1-15-12-26(22(31)25(20(15)30)13-17(27)28)21-18(29)19(34-36(10,11)24(5,6)7)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)
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n/an/a 2.07E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of HIV-1 mutant GluL38-Lys recombinant reverse transcriptase


Bioorg Med Chem Lett 11: 3085-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QC02S2
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175605
PNG
(CHEMBL3143761 | {3-[4-Amino-9-(tert-butyl-dimethyl...)
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)OCc2ccccc2)c1=O |r,c:21|
Show InChI InChI=1S/C33H51N3O10SSi2/c1-22-17-36(30(39)35(28(22)38)18-26(37)42-19-23-15-13-12-14-16-23)29-27(45-49(10,11)32(5,6)7)33(24(34)21-47(40,41)46-33)25(44-29)20-43-48(8,9)31(2,3)4/h12-17,21,25,27,29H,18-20,34H2,1-11H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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>2.50E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50148760
PNG
(CHEMBL3142914 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES CCOC(=O)P(O)(=O)OCCCn1c(=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 |r,c:36|
Show InChI InChI=1S/C30H54N3O13PSSi2/c1-13-41-27(36)47(37,38)42-16-14-15-32-24(34)20(2)17-33(26(32)35)25-23(45-50(11,12)29(6,7)8)30(21(31)19-48(39,40)46-30)22(44-25)18-43-49(9,10)28(3,4)5/h17,19,22-23,25H,13-16,18,31H2,1-12H3,(H,37,38)
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n/an/a 2.93E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50148764
PNG
(CHEMBL3142919 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
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(CCCOP(O)(=O)C(=O)OCc2ccccc2)c1=O |r,c:21|
Show InChI InChI=1S/C35H56N3O13PSSi2/c1-24-20-38(31(40)37(29(24)39)18-15-19-47-52(42,43)32(41)46-21-25-16-13-12-14-17-25)30-28(50-55(10,11)34(5,6)7)35(26(36)23-53(44,45)51-35)27(49-30)22-48-54(8,9)33(2,3)4/h12-14,16-17,20,23,27-28,30H,15,18-19,21-22,36H2,1-11H3,(H,42,43)
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n/an/a 3.12E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175610
PNG
(5-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...)
Show SMILES COC(=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 |r,c:32|
Show InChI InChI=1S/C30H53N3O10SSi2/c1-20-17-33(27(36)32(25(20)35)16-14-13-15-23(34)39-8)26-24(42-46(11,12)29(5,6)7)30(21(31)19-44(37,38)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
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n/an/a 3.27E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50106903
PNG
(CHEMBL3142817 | {3-[4-(tert-Butyl-dimethyl-silanyl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)c(=O)n(CC(O)=O)c1=O |r|
Show InChI InChI=1S/C24H44N2O8Si2/c1-15-12-26(22(31)25(20(15)30)13-17(27)28)21-18(29)19(34-36(10,11)24(5,6)7)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)
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n/an/a 3.35E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of HIV-1 mutant GluL38-Lys recombinant reverse transcriptase


Bioorg Med Chem Lett 11: 3085-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QC02S2
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50148762
PNG
(CHEMBL3142917 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES [Na+].COC(=O)P([O-])(=O)OCCCn1c(=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 |r,c:35|
Show InChI InChI=1S/C29H52N3O13PSSi2/c1-19-16-32(25(34)31(23(19)33)14-13-15-41-46(36,37)26(35)40-8)24-22(44-49(11,12)28(5,6)7)29(20(30)18-47(38,39)45-29)21(43-24)17-42-48(9,10)27(2,3)4/h16,18,21-22,24H,13-15,17,30H2,1-12H3,(H,36,37)/p-1
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n/an/a 3.94E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50148763
PNG
(CHEMBL3142918 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
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(CCCOP(O)(=O)C(O)=O)c1=O |r,c:21|
Show InChI InChI=1S/C28H50N3O13PSSi2/c1-18-15-31(24(33)30(22(18)32)13-12-14-40-45(36,37)25(34)35)23-21(43-48(10,11)27(5,6)7)28(19(29)17-46(38,39)44-28)20(42-23)16-41-47(8,9)26(2,3)4/h15,17,20-21,23H,12-14,16,29H2,1-11H3,(H,34,35)(H,36,37)
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n/an/a 4.37E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of HIV-1 mutant GluL38-Lys recombinant reverse transcriptase


Bioorg Med Chem Lett 11: 3085-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QC02S2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175612
PNG
((3-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-...)
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(CCCNC(=O)OCc2ccccc2)c1=O |r,c:21|
Show InChI InChI=1S/C35H56N4O10SSi2/c1-24-20-39(32(42)38(29(24)40)19-15-18-37-31(41)45-21-25-16-13-12-14-17-25)30-28(48-52(10,11)34(5,6)7)35(26(36)23-50(43,44)49-35)27(47-30)22-46-51(8,9)33(2,3)4/h12-14,16-17,20,23,27-28,30H,15,18-19,21-22,36H2,1-11H3,(H,37,41)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175625
PNG
(2-(3-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy...)
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(CCCN2C(=O)c3ccccc3C2=O)c1=O |r,c:21|
Show InChI InChI=1S/C35H52N4O10SSi2/c1-22-19-39(32(43)38(28(22)40)18-14-17-37-29(41)23-15-12-13-16-24(23)30(37)42)31-27(48-52(10,11)34(5,6)7)35(25(36)21-50(44,45)49-35)26(47-31)20-46-51(8,9)33(2,3)4/h12-13,15-16,19,21,26-27,31H,14,17-18,20,36H2,1-11H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50148761
PNG
(CHEMBL3142920 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES COC(=O)P(=O)(OC)OCCCn1c(=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 |r,c:36|
Show InChI InChI=1S/C30H54N3O13PSSi2/c1-20-17-33(26(35)32(24(20)34)15-14-16-42-47(37,41-9)27(36)40-8)25-23(45-50(12,13)29(5,6)7)30(21(31)19-48(38,39)46-30)22(44-25)18-43-49(10,11)28(2,3)4/h17,19,22-23,25H,14-16,18,31H2,1-13H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175619
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(CCBr)c1=O |r,c:21|
Show InChI InChI=1S/C26H46BrN3O8SSi2/c1-17-14-30(23(32)29(13-12-27)21(17)31)22-20(37-41(10,11)25(5,6)7)26(18(28)16-39(33,34)38-26)19(36-22)15-35-40(8,9)24(2,3)4/h14,16,19-20,22H,12-13,15,28H2,1-11H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175624
PNG
(CHEMBL3143802 | TSAO-T derivative)
Show SMILES CCCCOC(=O)CN(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)CC(=O)OCCCC |r,c:36|
Show InChI InChI=1S/C39H70N4O12SSi2/c1-14-16-21-50-31(44)24-41(25-32(45)51-22-17-15-2)19-18-20-42-34(46)28(3)23-43(36(42)47)35-33(54-58(12,13)38(7,8)9)39(29(40)27-56(48,49)55-39)30(53-35)26-52-57(10,11)37(4,5)6/h23,27,30,33,35H,14-22,24-26,40H2,1-13H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175615
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(CCc2cccc3cc[nH]c23)c1=O |r,c:21|
Show InChI InChI=1S/C34H52N4O8SSi2/c1-22-19-38(31(40)37(29(22)39)18-16-24-14-12-13-23-15-17-36-27(23)24)30-28(45-49(10,11)33(5,6)7)34(25(35)21-47(41,42)46-34)26(44-30)20-43-48(8,9)32(2,3)4/h12-15,17,19,21,26,28,30,36H,16,18,20,35H2,1-11H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50175614
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(CC2CC2)c1=O |r,c:21|
Show InChI InChI=1S/C28H49N3O8SSi2/c1-18-14-31(25(33)30(23(18)32)15-19-12-13-19)24-22(38-42(10,11)27(5,6)7)28(20(29)17-40(34,35)39-28)21(37-24)16-36-41(8,9)26(2,3)4/h14,17,19,21-22,24H,12-13,15-16,29H2,1-11H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase


J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair
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