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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'goldring' and Initial = 'ao'   
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)
BDBM50288068
PNG
((2,4-Dimethyl-4-methylsulfanylmethoxy-tetrahydro-f...)
Show SMILES CSCO[C@@]1(C)CO[C@@](C)(CC(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)C1 |r|
Show InChI InChI=1S/C20H30N2O8S/c1-12-7-22(18(26)21-17(12)25)15-5-13(23)14(30-15)8-27-16(24)6-19(2)9-20(3,10-28-19)29-11-31-4/h7,13-15,23H,5-6,8-11H2,1-4H3,(H,21,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 6: 2411-2416 (1996)


Article DOI: 10.1016/0960-894X(96)00443-X
BindingDB Entry DOI: 10.7270/Q2TB16VK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50288067
PNG
((2,4-Dimethyl-4-methylsulfanylmethoxy-tetrahydro-f...)
Show SMILES CSCOC1(C)COC(C)(CC(=O)OC[C@H]2O[C@H](C[C@@H]2N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O)C1 |r|
Show InChI InChI=1S/C20H29N5O7S/c1-12-7-25(18(28)22-17(12)27)15-5-13(23-24-21)14(32-15)8-29-16(26)6-19(2)9-20(3,10-30-19)31-11-33-4/h7,13-15H,5-6,8-11H2,1-4H3,(H,22,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 6: 2411-2416 (1996)


Article DOI: 10.1016/0960-894X(96)00443-X
BindingDB Entry DOI: 10.7270/Q2TB16VK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50288066
PNG
((2,4-Dimethyl-4-methylsulfanylmethoxy-tetrahydro-f...)
Show SMILES CSCO[C@@]1(C)CO[C@](C)(CC(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)CNC2=O)C1 |r,t:23|
Show InChI InChI=1S/C20H32N2O7S/c1-13-7-21-18(25)22(8-13)16-5-14(23)15(29-16)9-26-17(24)6-19(2)10-20(3,11-27-19)28-12-30-4/h8,14-16,23H,5-7,9-12H2,1-4H3,(H,21,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 6: 2411-2416 (1996)


Article DOI: 10.1016/0960-894X(96)00443-X
BindingDB Entry DOI: 10.7270/Q2TB16VK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50288069
PNG
((2,4-Dimethyl-4-methylsulfanylmethoxy-tetrahydro-f...)
Show SMILES CSCOC1(C)COC(C)(CC(O)=O)C1
Show InChI InChI=1S/C10H18O4S/c1-9(4-8(11)12)5-10(2,6-13-9)14-7-15-3/h4-7H2,1-3H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 6: 2411-2416 (1996)


Article DOI: 10.1016/0960-894X(96)00443-X
BindingDB Entry DOI: 10.7270/Q2TB16VK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


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



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 6: 2411-2416 (1996)


Article DOI: 10.1016/0960-894X(96)00443-X
BindingDB Entry DOI: 10.7270/Q2TB16VK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50214280
PNG
(CHEMBL3142412)
Show SMILES CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1 |r,t:1|
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 6: 2411-2416 (1996)


Article DOI: 10.1016/0960-894X(96)00443-X
BindingDB Entry DOI: 10.7270/Q2TB16VK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50214282
PNG
(CHEMBL3350413)
Show SMILES CSCOC1(C)COC(C)(CC(=O)OC[C@H]2O[C@H](C(O)=C2)n2cnc3c(N)ncnc23)C1 |r,c:19|
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 6: 2411-2416 (1996)


Article DOI: 10.1016/0960-894X(96)00443-X
BindingDB Entry DOI: 10.7270/Q2TB16VK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50288070
PNG
((2,4-Dimethyl-4-methylsulfanylmethoxy-tetrahydro-f...)
Show SMILES CSCO[C@@]1(C)CO[C@@](C)(CC(=O)OC[C@H]2O[C@H](C[C@@H]2O[Si](C)(C)C(C)(C)C)n2cc(C)c(=O)[nH]c2=O)C1 |r|
Show InChI InChI=1S/C26H44N2O8SSi/c1-17-12-28(23(31)27-22(17)30)20-10-18(36-38(8,9)24(2,3)4)19(35-20)13-32-21(29)11-25(5)14-26(6,15-33-25)34-16-37-7/h12,18-20H,10-11,13-16H2,1-9H3,(H,27,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 6: 2411-2416 (1996)


Article DOI: 10.1016/0960-894X(96)00443-X
BindingDB Entry DOI: 10.7270/Q2TB16VK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070293
PNG
(2-({[3-(tert-Butyl-dimethyl-silanyloxy)-5-(5-methy...)
Show SMILES Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CNC(=O)CC3(C)CC(CN3C(=O)OC(C)(C)C)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C44H66N4O8Si2/c1-30-28-47(39(51)46-38(30)50)37-24-34(56-57(12,13)42(5,6)7)35(53-37)27-45-36(49)26-44(11)25-31(29-48(44)40(52)54-41(2,3)4)55-58(43(8,9)10,32-20-16-14-17-21-32)33-22-18-15-19-23-33/h14-23,28,31,34-35,37H,24-27,29H2,1-13H3,(H,45,49)(H,46,50,51)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Wales Cardiff

Curated by ChEMBL


Assay Description
Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 1211-4 (1999)


BindingDB Entry DOI: 10.7270/Q2PZ580P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070294
PNG
(CHEMBL20165 | N-[3-Hydroxy-5-(5-methyl-2,4-dioxo-3...)
Show SMILES Cc1cn(C2CC(O)C(CNC(=O)CC3(C)CC(O)CN3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H26N4O6/c1-9-8-21(16(26)20-15(9)25)14-3-11(23)12(27-14)7-18-13(24)5-17(2)4-10(22)6-19-17/h8,10-12,14,19,22-23H,3-7H2,1-2H3,(H,18,24)(H,20,25,26)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Wales Cardiff

Curated by ChEMBL


Assay Description
Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 1211-4 (1999)


BindingDB Entry DOI: 10.7270/Q2PZ580P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070295
PNG
(4-(tert-Butyl-diphenyl-silanyloxy)-2-methyl-2-({[5...)
Show SMILES Cc1cn(C2OC(CNC(=O)CC3(C)CC(CN3C(=O)OC(C)(C)C)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C2)c(=O)[nH]c1=O |c:46|
Show InChI InChI=1S/C38H50N4O7Si/c1-26-24-41(34(45)40-33(26)44)32-20-19-27(47-32)23-39-31(43)22-38(8)21-28(25-42(38)35(46)48-36(2,3)4)49-50(37(5,6)7,29-15-11-9-12-16-29)30-17-13-10-14-18-30/h9-20,24,27-28,32H,21-23,25H2,1-8H3,(H,39,43)(H,40,44,45)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Wales Cardiff

Curated by ChEMBL


Assay Description
Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 1211-4 (1999)


BindingDB Entry DOI: 10.7270/Q2PZ580P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070296
PNG
(4-Hydroxy-2-methyl-2-({[5-(5-methyl-2,4-dioxo-3,4-...)
Show SMILES Cc1cn(C2OC(CNC(=O)CC3(C)CC(O)CN3C(=O)OC(C)(C)C)C=C2)c(=O)[nH]c1=O |c:27|
Show InChI InChI=1S/C22H32N4O7/c1-13-11-25(19(30)24-18(13)29)17-7-6-15(32-17)10-23-16(28)9-22(5)8-14(27)12-26(22)20(31)33-21(2,3)4/h6-7,11,14-15,17,27H,8-10,12H2,1-5H3,(H,23,28)(H,24,29,30)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Wales Cardiff

Curated by ChEMBL


Assay Description
Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 1211-4 (1999)


BindingDB Entry DOI: 10.7270/Q2PZ580P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070292
PNG
(2-(4-Hydroxy-2-methyl-pyrrolidin-2-yl)-N-[5-(5-met...)
Show SMILES Cc1cn(C2OC(CNC(=O)CC3(C)CC(O)CN3)C=C2)c(=O)[nH]c1=O |c:20|
Show InChI InChI=1S/C17H24N4O5/c1-10-9-21(16(25)20-15(10)24)14-4-3-12(26-14)8-18-13(23)6-17(2)5-11(22)7-19-17/h3-4,9,11-12,14,19,22H,5-8H2,1-2H3,(H,18,23)(H,20,24,25)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Wales Cardiff

Curated by ChEMBL


Assay Description
Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 1211-4 (1999)


BindingDB Entry DOI: 10.7270/Q2PZ580P
More data for this
Ligand-Target Pair