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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'barrios' and Initial = 'fr'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		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)		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)		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)		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)		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)		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)		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)		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)		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)		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)		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)		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)		BDBM50175608
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(Cc2ccccc2)c1=O |r,c:21|
Show InChI InChI=1S/C31H49N3O8SSi2/c1-21-17-34(28(36)33(26(21)35)18-22-15-13-12-14-16-22)27-25(41-45(10,11)30(5,6)7)31(23(32)20-43(37,38)42-31)24(40-27)19-39-44(8,9)29(2,3)4/h12-17,20,24-25,27H,18-19,32H2,1-11H3
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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)		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
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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)		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
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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)		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
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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)		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)		BDBM50175611
PNG
(6-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...)
Show SMILES CCOC(=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:34|
Show InChI InChI=1S/C32H57N3O10SSi2/c1-13-41-25(36)17-15-14-16-18-34-27(37)22(2)19-35(29(34)38)28-26(44-48(11,12)31(6,7)8)32(23(33)21-46(39,40)45-32)24(43-28)20-42-47(9,10)30(3,4)5/h19,21,24,26,28H,13-18,20,33H2,1-12H3
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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)		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
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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)		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>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