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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50011474   
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)		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)		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)		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)		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)		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)		BDBM50403887
PNG
(CHEMBL611868)
Show SMILES Cc1cn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C19H22N2O8/c1-11-7-21(18-16(25)15(24)13(9-22)29-18)19(27)20(17(11)26)8-14(23)28-10-12-5-3-2-4-6-12/h2-7,13,15-16,18,22,24-25H,8-10H2,1H3/t13-,15-,16-,18?/m1/s1
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n/an/an/an/a>2.50E+5n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403888
PNG
(CHEMBL3142812 | CHEMBL321344)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[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/C18H30N2O8Si/c1-10-7-20(17(26)19(15(10)25)8-12(22)23)16-14(13(24)11(9-21)27-16)28-29(5,6)18(2,3)4/h7,11,13-14,16,21,24H,8-9H2,1-6H3,(H,22,23)
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n/an/an/an/a 2.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403889
PNG
(CHEMBL318807)
Show SMILES Cc1cn(C2CCC(CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O
Show InChI InChI=1S/C25H36N2O6Si/c1-18-14-26(21-13-12-20(33-21)17-32-34(5,6)25(2,3)4)24(30)27(23(18)29)15-22(28)31-16-19-10-8-7-9-11-19/h7-11,14,20-21H,12-13,15-17H2,1-6H3
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n/an/an/an/a>2.50E+5n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403890
PNG
(CHEMBL608622)
Show SMILES Cc1cn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(CC(O)=O)c1=O |r|
Show InChI InChI=1S/C12H16N2O8/c1-5-2-14(11-9(19)8(18)6(4-15)22-11)12(21)13(10(5)20)3-7(16)17/h2,6,8-9,11,15,18-19H,3-4H2,1H3,(H,16,17)/t6-,8-,9-,11?/m1/s1
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n/an/an/an/a>2.50E+5n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403891
PNG
(CHEMBL105831 | CHEMBL3142816)
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)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H50N2O8Si2/c1-21-17-33(29(37)32(27(21)36)18-24(34)38-19-22-15-13-12-14-16-22)28-25(35)26(41-43(10,11)31(5,6)7)23(40-28)20-39-42(8,9)30(2,3)4/h12-17,23,25-26,28,35H,18-20H2,1-11H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403892
PNG
(CHEMBL3142818 | CHEMBL321135)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C25H36N2O8Si/c1-16-12-27(23-21(20(30)18(14-28)34-23)35-36(5,6)25(2,3)4)24(32)26(22(16)31)13-19(29)33-15-17-10-8-7-9-11-17/h7-12,18,20-21,23,28,30H,13-15H2,1-6H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403893
PNG
(CHEMBL107000 | CHEMBL3142820)
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)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H50N2O8Si2/c1-21-17-33(29(37)32(27(21)36)18-24(34)38-19-22-15-13-12-14-16-22)28-26(41-43(10,11)31(5,6)7)25(35)23(40-28)20-39-42(8,9)30(2,3)4/h12-17,23,25-26,28,35H,18-20H2,1-11H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403894
PNG
(CHEMBL322101)
Show SMILES Cc1cn(C2CCC(CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(O)=O)c1=O
Show InChI InChI=1S/C18H30N2O6Si/c1-12-9-19(17(24)20(16(12)23)10-15(21)22)14-8-7-13(26-14)11-25-27(5,6)18(2,3)4/h9,13-14H,7-8,10-11H2,1-6H3,(H,21,22)
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n/an/an/an/a>2.50E+5n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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/an/an/a 4.50E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403895
PNG
(CHEMBL608621)
Show SMILES Cc1cn(C2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C25H36N2O8Si/c1-16-12-27(23-21(30)20(29)18(35-23)15-34-36(5,6)25(2,3)4)24(32)26(22(16)31)13-19(28)33-14-17-10-8-7-9-11-17/h7-12,18,20-21,23,29-30H,13-15H2,1-6H3/t18-,20-,21-,23?/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/an/an/a 3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403886
PNG
(CHEMBL102269)
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)OCc2ccccc2)c1=O
Show InChI InChI=1S/C31H50N2O7Si2/c1-22-18-33(29(36)32(27(22)35)19-26(34)37-20-23-15-13-12-14-16-23)28-25(40-42(10,11)31(5,6)7)17-24(39-28)21-38-41(8,9)30(2,3)4/h12-16,18,24-25,28H,17,19-21H2,1-11H3
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n/an/an/an/a>2.00E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403885
PNG
(CHEMBL104540 | CHEMBL3142811)
Show SMILES Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H50N2O7Si2/c1-22-18-32(29(36)33(28(22)35)19-27(34)37-20-23-15-13-12-14-16-23)26-17-24(40-42(10,11)31(5,6)7)25(39-26)21-38-41(8,9)30(2,3)4/h12-16,18,24-26H,17,19-21H2,1-11H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403896
PNG
(CHEMBL607754)
Show SMILES Cc1cn(C2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)c(=O)n(CC(O)=O)c1=O |r|
Show InChI InChI=1S/C18H30N2O8Si/c1-10-7-20(17(26)19(15(10)25)8-12(21)22)16-14(24)13(23)11(28-16)9-27-29(5,6)18(2,3)4/h7,11,13-14,16,23-24H,8-9H2,1-6H3,(H,21,22)/t11-,13-,14-,16?/m1/s1
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n/an/an/an/a 1.17E+5n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403883
PNG
(CHEMBL3142815 | CHEMBL431822)
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[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O |r|
Show InChI InChI=1S/C30H58N2O8Si3/c1-20-17-32(27(36)31(25(20)35)18-22(33)34)26-24(40-43(15,16)30(8,9)10)23(39-42(13,14)29(5,6)7)21(38-26)19-37-41(11,12)28(2,3)4/h17,21,23-24,26H,18-19H2,1-16H3,(H,33,34)
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n/an/an/an/a 3.20E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		BDBM50403882
PNG
(CHEMBL3142814 | CHEMBL321101)
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[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C37H64N2O8Si3/c1-26-22-39(34(42)38(32(26)41)23-29(40)43-24-27-20-18-17-19-21-27)33-31(47-50(15,16)37(8,9)10)30(46-49(13,14)36(5,6)7)28(45-33)25-44-48(11,12)35(2,3)4/h17-22,28,30-31,33H,23-25H2,1-16H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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/an/an/a 4.50E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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/an/an/a 1.80E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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)		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/an/an/a 60n/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)		BDBM50403884
PNG
(CHEMBL3142819 | CHEMBL323339)
Show SMILES Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(O)=O)c1=O |r|
Show InChI InChI=1S/C24H44N2O7Si2/c1-16-13-25(22(30)26(21(16)29)14-20(27)28)19-12-17(33-35(10,11)24(5,6)7)18(32-19)15-31-34(8,9)23(2,3)4/h13,17-19H,12,14-15H2,1-11H3,(H,27,28)
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n/an/an/an/a 5.00E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells

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


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