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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'loya' 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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478430
PNG
(CHEMBL500695)
Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]S([#8-])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |r|
Show InChI InChI=1S/C43H80O12S.Na/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2;/h17-18,36-37,40-43,46-48H,3-16,19-35H2,1-2H3,(H,49,50,51);/q;+1/p-1/b18-17-;/t36-,37-,40-,41+,42-,43+;/m1./s1
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n/an/a 24n/an/an/an/an/an/a



Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030220
PNG
(4-[(10R,13R)-17-(1,5-Dimethyl-hexyl)-10,13-dimethy...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O |t:14|
Show InChI InChI=1S/C38H53NO9S2/c1-22(2)7-6-8-23(3)30-11-12-31-29-10-9-25-19-26(13-15-37(25,4)32(29)14-16-38(30,31)5)48-36(41)39-33-20-27(49(42,43)44)17-24-18-28(50(45,46)47)21-34(40)35(24)33/h9,17-18,20-23,26,29-32,40H,6-8,10-16,19H2,1-5H3,(H,39,41)(H,42,43,44)(H,45,46,47)/t23?,26?,29?,30?,31?,32?,37-,38+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478436
PNG
(CHEMBL448380)
Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]S([#8-])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]/[#6]\[#6]=[#6]/[#6]-[#6]-[#6]-[#6]-[#6] |r|
Show InChI InChI=1S/C43H78O12S.Na/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2;/h11,13,17-18,36-37,40-43,46-48H,3-10,12,14-16,19-35H2,1-2H3,(H,49,50,51);/q;+1/p-1/b13-11-,18-17-;/t36-,37-,40-,41+,42-,43+;/m1./s1
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n/an/a 77n/an/an/an/an/an/a



Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478431
PNG
(CHEMBL455390)
Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]S([#8-])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |r|
Show InChI InChI=1S/C41H78O12S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49);/q;+1/p-1/t34-,35-,38-,39+,40-,41+;/m1./s1
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n/an/a 112n/an/an/an/an/an/a



Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030217
PNG
(CHEMBL313213 | Hexadecanoic acid 1-hexadecanoylami...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1c(OC(=O)CCCCCCCCCCCCCCC)cc(c2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C42H69NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-40(44)43-42-37-32-30-29-31-36(37)39(50(46,47)48)35-38(42)49-41(45)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35H,3-28,33-34H2,1-2H3,(H,43,44)(H,46,47,48)
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n/an/a 720n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478497
PNG
(Shaagrockol C)
Show SMILES [Na;v0+].[Na;v0+].[H][C@]12[#6]-[#6]-[#6@@H](-[#6])[C@]([#8])([#6]-[#6][C@]3([#6])[#6]-[#6]-[#6][C@@]4([#6])[#6](-[#6]-c5cc(-[#8]S([#8-])(=O)=O)ccc5-[#8]S([#8-])(=O)=O)=[#6](-[#6])-[#6]-[#6][C@]34[H])[C@@]1([#6])[#6]-[#6]-[#6]C([#6])([#6])[#8]2 |r,t:35|
Show InChI InChI=1S/C36H56O10S2.2Na/c1-24-10-14-30-33(5,20-21-36(37)25(2)11-15-31-35(36,7)19-8-16-32(3,4)44-31)17-9-18-34(30,6)28(24)23-26-22-27(45-47(38,39)40)12-13-29(26)46-48(41,42)43;;/h12-13,22,25,30-31,37H,8-11,14-21,23H2,1-7H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/t25-,30-,31+,33+,34+,35+,36-;;/m1../s1
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n/an/a 800n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478495
PNG
(CHEMBL450355)
Show SMILES [H][C@]12CC[C@@H](C)[C@](O)(CC[C@]3(C)CCC[C@@]4(C)C(Cc5cc(O)ccc5O)=C(C)CC[C@]34[H])[C@@]1(C)CCCC(C)(C)O2 |r,t:27|
Show InChI InChI=1S/C36H56O4/c1-24-10-14-30-33(5,17-9-18-34(30,6)28(24)23-26-22-27(37)12-13-29(26)38)20-21-36(39)25(2)11-15-31-35(36,7)19-8-16-32(3,4)40-31/h12-13,22,25,30-31,37-39H,8-11,14-21,23H2,1-7H3/t25-,30-,31+,33+,34+,35+,36-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478496
PNG
(TOXIUSOL SODIUM | Toxiusol)
Show SMILES [Na;v0+].[Na;v0+].[H][C@]12[#6]-[#6]-[#6@H](-[#6])[C@@]([#6])([#6]-[#6][C@]3([#6])[#6]-[#6]-[#6][C@]4([H])[#6]3=[#6]-[#6]-[#6@@H](-[#6])[C@@]4([#6])[#6]-c3cc(-[#8]S([#8-])(=O)=O)ccc3-[#8]S([#8-])(=O)=O)[#6]1=[#6]-[#6]-[#6]C2([#6])[#6] |r,c:45,t:18|
Show InChI InChI=1S/C36H54O8S2.2Na/c1-24-12-15-28-30(10-8-18-33(28,3)4)35(24,6)21-20-34(5)19-9-11-31-29(34)16-13-25(2)36(31,7)23-26-22-27(43-45(37,38)39)14-17-32(26)44-46(40,41)42;;/h10,14,16-17,22,24-25,28,31H,8-9,11-13,15,18-21,23H2,1-7H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/t24-,25+,28-,31+,34-,35+,36+;;/m0../s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by po...


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030215
PNG
(4-Hexadecanoylamino-naphthalene-1,5-disulfonic aci...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1ccc(c2cccc(c12)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C26H39NO7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25(28)27-22-19-20-23(35(29,30)31)21-16-15-17-24(26(21)22)36(32,33)34/h15-17,19-20H,2-14,18H2,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)
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n/an/a 1.60E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478495
PNG
(CHEMBL450355)
Show SMILES [H][C@]12CC[C@@H](C)[C@](O)(CC[C@]3(C)CCC[C@@]4(C)C(Cc5cc(O)ccc5O)=C(C)CC[C@]34[H])[C@@]1(C)CCCC(C)(C)O2 |r,t:27|
Show InChI InChI=1S/C36H56O4/c1-24-10-14-30-33(5,17-9-18-34(30,6)28(24)23-26-22-27(37)12-13-29(26)38)20-21-36(39)25(2)11-15-31-35(36,7)19-8-16-32(3,4)40-31/h12-13,22,25,30-31,37-39H,8-11,14-21,23H2,1-7H3/t25-,30-,31+,33+,34+,35+,36-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by po...


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478500
PNG
(TOXICOL A)
Show SMILES [Na;v0+].[Na;v0+].[#6][C@@]12[#6]-[#6]-[#6](-[#6]1-[#6]-[#6][C@@]1([#6])[#6]2-[#6]-c2c1c(-[#8]S([#8-])(=O)=O)ccc2-[#8]S([#8-])(=O)=O)[C@@]1([#6])[#6]-[#6]-[#6]2-[#8][C@@]3([#6])[#6]-[#6]-[#6]C([#6])([#6])[#6]3-[#6]-[#6][C@@]12[#6] |r|
Show InChI InChI=1S/C36H54O9S2.2Na/c1-31(2)15-8-16-36(7)27(31)13-19-35(6)29(43-36)14-20-34(35,5)24-12-17-32(3)23(24)11-18-33(4)28(32)21-22-25(44-46(37,38)39)9-10-26(30(22)33)45-47(40,41)42;;/h9-10,23-24,27-29H,8,11-21H2,1-7H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/t23?,24?,27?,28?,29?,32-,33+,34-,35-,36+;;/m1../s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478493
PNG
(CHEMBL480885)
Show SMILES [H][C@]12CC[C@H](C)[C@@](C)(CC[C@]3(C)CCC[C@]4([H])C3=CC[C@@H](C)[C@@]4(C)Cc3cc(O)ccc3O)C1=CCCC2(C)C |r,c:37,t:18|
Show InChI InChI=1S/C36H54O2/c1-24-12-15-28-30(10-8-18-33(28,3)4)35(24,6)21-20-34(5)19-9-11-31-29(34)16-13-25(2)36(31,7)23-26-22-27(37)14-17-32(26)38/h10,14,16-17,22,24-25,28,31,37-38H,8-9,11-13,15,18-21,23H2,1-7H3/t24-,25+,28-,31+,34-,35+,36+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by po...


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478437
PNG
(CHEMBL506716)
Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]S([#8-])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6@H]-1-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]/[#6]\[#6]=[#6]/[#6]-[#6]-[#6]-[#6]-[#6] |r|
Show InChI InChI=1S/C75H138O14S.Na/c1-5-9-13-17-21-25-29-33-34-38-39-43-47-51-55-59-68(76)84-63-66(86-69(77)60-56-52-48-44-40-35-30-26-22-18-14-10-6-2)64-85-75-74(89-71(79)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)73(72(80)67(87-75)65-90(81,82)83)88-70(78)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3;/h21,25,33-34,66-67,72-75,80H,5-20,22-24,26-32,35-65H2,1-4H3,(H,81,82,83);/q;+1/p-1/b25-21-,34-33-;/t66-,67-,72-,73+,74-,75+;/m1./s1
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n/an/a 2.95E+3n/an/an/an/an/an/a



Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478500
PNG
(TOXICOL A)
Show SMILES [Na;v0+].[Na;v0+].[#6][C@@]12[#6]-[#6]-[#6](-[#6]1-[#6]-[#6][C@@]1([#6])[#6]2-[#6]-c2c1c(-[#8]S([#8-])(=O)=O)ccc2-[#8]S([#8-])(=O)=O)[C@@]1([#6])[#6]-[#6]-[#6]2-[#8][C@@]3([#6])[#6]-[#6]-[#6]C([#6])([#6])[#6]3-[#6]-[#6][C@@]12[#6] |r|
Show InChI InChI=1S/C36H54O9S2.2Na/c1-31(2)15-8-16-36(7)27(31)13-19-35(6)29(43-36)14-20-34(35,5)24-12-17-32(3)23(24)11-18-33(4)28(32)21-22-25(44-46(37,38)39)9-10-26(30(22)33)45-47(40,41)42;;/h9-10,23-24,27-29H,8,11-21H2,1-7H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/t23?,24?,27?,28?,29?,32-,33+,34-,35-,36+;;/m1../s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by po...


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030218
PNG
(4-Hexadecanoylamino-3-hydroxy-naphthalene-1-sulfon...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1c(O)cc(c2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C26H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25(29)27-26-22-18-16-15-17-21(22)24(20-23(26)28)33(30,31)32/h15-18,20,28H,2-14,19H2,1H3,(H,27,29)(H,30,31,32)
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n/an/a 3.20E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030218
PNG
(4-Hexadecanoylamino-3-hydroxy-naphthalene-1-sulfon...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1c(O)cc(c2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C26H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25(29)27-26-22-18-16-15-17-21(22)24(20-23(26)28)33(30,31)32/h15-18,20,28H,2-14,19H2,1H3,(H,27,29)(H,30,31,32)
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n/an/a 3.20E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478497
PNG
(Shaagrockol C)
Show SMILES [Na;v0+].[Na;v0+].[H][C@]12[#6]-[#6]-[#6@@H](-[#6])[C@]([#8])([#6]-[#6][C@]3([#6])[#6]-[#6]-[#6][C@@]4([#6])[#6](-[#6]-c5cc(-[#8]S([#8-])(=O)=O)ccc5-[#8]S([#8-])(=O)=O)=[#6](-[#6])-[#6]-[#6][C@]34[H])[C@@]1([#6])[#6]-[#6]-[#6]C([#6])([#6])[#8]2 |r,t:35|
Show InChI InChI=1S/C36H56O10S2.2Na/c1-24-10-14-30-33(5,20-21-36(37)25(2)11-15-31-35(36,7)19-8-16-32(3,4)44-31)17-9-18-34(30,6)28(24)23-26-22-27(45-47(38,39)40)12-13-29(26)46-48(41,42)43;;/h12-13,22,25,30-31,37H,8-11,14-21,23H2,1-7H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/t25-,30-,31+,33+,34+,35+,36-;;/m1../s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by po...


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030219
PNG
(Biphenyl-4,4'-dicarboxylic acid bis-(3,6-disulfo-n...)
Show SMILES OS(=O)(=O)c1ccc2c(OC(=O)c3ccc(cc3)-c3ccc(cc3)C(=O)Oc3cc(cc4cc(ccc34)S(O)(=O)=O)S(O)(=O)=O)cc(cc2c1)S(O)(=O)=O
Show InChI InChI=1S/C34H22O16S4/c35-33(49-31-17-27(53(43,44)45)15-23-13-25(51(37,38)39)9-11-29(23)31)21-5-1-19(2-6-21)20-3-7-22(8-4-20)34(36)50-32-18-28(54(46,47)48)16-24-14-26(52(40,41)42)10-12-30(24)32/h1-18H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)
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n/an/a 3.40E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478499
PNG
(TOXICOL B)
Show SMILES C[C@@]12CCC(C1CC[C@@]1(C)C2Cc2c1c(O)ccc2O)[C@@]1(C)CCC2O[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C |r|
Show InChI InChI=1S/C36H54O3/c1-31(2)15-8-16-36(7)27(31)13-19-35(6)29(39-36)14-20-34(35,5)24-12-17-32(3)23(24)11-18-33(4)28(32)21-22-25(37)9-10-26(38)30(22)33/h9-10,23-24,27-29,37-38H,8,11-21H2,1-7H3/t23?,24?,27?,28?,29?,32-,33+,34-,35-,36+/m1/s1
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Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by po...


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478493
PNG
(CHEMBL480885)
Show SMILES [H][C@]12CC[C@H](C)[C@@](C)(CC[C@]3(C)CCC[C@]4([H])C3=CC[C@@H](C)[C@@]4(C)Cc3cc(O)ccc3O)C1=CCCC2(C)C |r,c:37,t:18|
Show InChI InChI=1S/C36H54O2/c1-24-12-15-28-30(10-8-18-33(28,3)4)35(24,6)21-20-34(5)19-9-11-31-29(34)16-13-25(2)36(31,7)23-26-22-27(37)14-17-32(26)38/h10,14,16-17,22,24-25,28,31,37-38H,8-9,11-13,15,18-21,23H2,1-7H3/t24-,25+,28-,31+,34-,35+,36+/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030216
PNG
(4-[5-(3,6-disulfo-1-naphthyloxysulfonyl)-1-naphthy...)
Show SMILES OS(=O)(=O)c1ccc2c(OS(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)Oc3cc(cc4cc(ccc34)S(O)(=O)=O)S(O)(=O)=O)cc(cc2c1)S(O)(=O)=O
Show InChI InChI=1S/C30H20O18S6/c31-49(32,33)19-7-9-23-17(11-19)13-21(51(37,38)39)15-27(23)47-53(43,44)29-5-1-3-25-26(29)4-2-6-30(25)54(45,46)48-28-16-22(52(40,41)42)14-18-12-20(50(34,35)36)8-10-24(18)28/h1-16H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)
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n/an/a 4.30E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478498
PNG
(CHEMBL519929)
Show SMILES C[C@@]12CCC(C1CC[C@@]1(C)C2CC2=C1C(=O)C=CC2=O)[C@@]1(C)CCC2O[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C |r,c:14,19|
Show InChI InChI=1S/C36H52O3/c1-31(2)15-8-16-36(7)27(31)13-19-35(6)29(39-36)14-20-34(35,5)24-12-17-32(3)23(24)11-18-33(4)28(32)21-22-25(37)9-10-26(38)30(22)33/h9-10,23-24,27-29H,8,11-21H2,1-7H3/t23?,24?,27?,28?,29?,32-,33+,34-,35-,36+/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030217
PNG
(CHEMBL313213 | Hexadecanoic acid 1-hexadecanoylami...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1c(OC(=O)CCCCCCCCCCCCCCC)cc(c2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C42H69NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-40(44)43-42-37-32-30-29-31-36(37)39(50(46,47)48)35-38(42)49-41(45)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35H,3-28,33-34H2,1-2H3,(H,43,44)(H,46,47,48)
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n/an/a 6.60E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of DNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478496
PNG
(TOXIUSOL SODIUM | Toxiusol)
Show SMILES [Na;v0+].[Na;v0+].[H][C@]12[#6]-[#6]-[#6@H](-[#6])[C@@]([#6])([#6]-[#6][C@]3([#6])[#6]-[#6]-[#6][C@]4([H])[#6]3=[#6]-[#6]-[#6@@H](-[#6])[C@@]4([#6])[#6]-c3cc(-[#8]S([#8-])(=O)=O)ccc3-[#8]S([#8-])(=O)=O)[#6]1=[#6]-[#6]-[#6]C2([#6])[#6] |r,c:45,t:18|
Show InChI InChI=1S/C36H54O8S2.2Na/c1-24-12-15-28-30(10-8-18-33(28,3)4)35(24,6)21-20-34(5)19-9-11-31-29(34)16-13-25(2)36(31,7)23-26-22-27(43-45(37,38)39)14-17-32(26)44-46(40,41)42;;/h10,14,16-17,22,24-25,28,31H,8-9,11-13,15,18-21,23H2,1-7H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/t24-,25+,28-,31+,34-,35+,36+;;/m0../s1
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Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030215
PNG
(4-Hexadecanoylamino-naphthalene-1,5-disulfonic aci...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1ccc(c2cccc(c12)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C26H39NO7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25(28)27-22-19-20-23(35(29,30)31)21-16-15-17-24(26(21)22)36(32,33)34/h15-17,19-20H,2-14,18H2,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)
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n/an/a 6.70E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of DNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478494
PNG
(SHAAGROCKOL B)
Show SMILES [Na;v0+].[Na;v0+].[H][C@]12[#6]-[#6]-[#6@@H](-[#6])[C@]([#8])([#6]-[#6][C@]3([#6])[#6]-[#6]-[#6][C@@]([#6])([#6](=O)-[#6]-c4cc(-[#8]S([#8-])(=O)=O)ccc4-[#8]S([#8-])(=O)=O)[C@]3([H])[#6]-[#6]-[#6](-[#6])=O)[C@@]1([#6])[#6]-[#6]-[#6]C([#6])([#6])[#8]2 |r|
Show InChI InChI=1S/C36H56O12S2.2Na/c1-24-10-15-31-35(7,19-8-16-32(3,4)46-31)36(24,39)21-20-33(5)17-9-18-34(6,29(33)14-11-25(2)37)30(38)23-26-22-27(47-49(40,41)42)12-13-28(26)48-50(43,44)45;;/h12-13,22,24,29,31,39H,8-11,14-21,23H2,1-7H3,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2/t24-,29-,31+,33+,34-,35+,36-;;/m1../s1
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Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030219
PNG
(Biphenyl-4,4'-dicarboxylic acid bis-(3,6-disulfo-n...)
Show SMILES OS(=O)(=O)c1ccc2c(OC(=O)c3ccc(cc3)-c3ccc(cc3)C(=O)Oc3cc(cc4cc(ccc34)S(O)(=O)=O)S(O)(=O)=O)cc(cc2c1)S(O)(=O)=O
Show InChI InChI=1S/C34H22O16S4/c35-33(49-31-17-27(53(43,44)45)15-23-13-25(51(37,38)39)9-11-29(23)31)21-5-1-19(2-6-21)20-3-7-22(8-4-20)34(36)50-32-18-28(54(46,47)48)16-24-14-26(52(40,41)42)10-12-30(24)32/h1-18H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)
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n/an/a 6.90E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of DNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030220
PNG
(4-[(10R,13R)-17-(1,5-Dimethyl-hexyl)-10,13-dimethy...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O |t:14|
Show InChI InChI=1S/C38H53NO9S2/c1-22(2)7-6-8-23(3)30-11-12-31-29-10-9-25-19-26(13-15-37(25,4)32(29)14-16-38(30,31)5)48-36(41)39-33-20-27(49(42,43)44)17-24-18-28(50(45,46)47)21-34(40)35(24)33/h9,17-18,20-23,26,29-32,40H,6-8,10-16,19H2,1-5H3,(H,39,41)(H,42,43,44)(H,45,46,47)/t23?,26?,29?,30?,31?,32?,37-,38+/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of DNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478499
PNG
(TOXICOL B)
Show SMILES C[C@@]12CCC(C1CC[C@@]1(C)C2Cc2c1c(O)ccc2O)[C@@]1(C)CCC2O[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C |r|
Show InChI InChI=1S/C36H54O3/c1-31(2)15-8-16-36(7)27(31)13-19-35(6)29(39-36)14-20-34(35,5)24-12-17-32(3)23(24)11-18-33(4)28(32)21-22-25(37)9-10-26(38)30(22)33/h9-10,23-24,27-29,37-38H,8,11-21H2,1-7H3/t23?,24?,27?,28?,29?,32-,33+,34-,35-,36+/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478494
PNG
(SHAAGROCKOL B)
Show SMILES [Na;v0+].[Na;v0+].[H][C@]12[#6]-[#6]-[#6@@H](-[#6])[C@]([#8])([#6]-[#6][C@]3([#6])[#6]-[#6]-[#6][C@@]([#6])([#6](=O)-[#6]-c4cc(-[#8]S([#8-])(=O)=O)ccc4-[#8]S([#8-])(=O)=O)[C@]3([H])[#6]-[#6]-[#6](-[#6])=O)[C@@]1([#6])[#6]-[#6]-[#6]C([#6])([#6])[#8]2 |r|
Show InChI InChI=1S/C36H56O12S2.2Na/c1-24-10-15-31-35(7,19-8-16-32(3,4)46-31)36(24,39)21-20-33(5)17-9-18-34(6,29(33)14-11-25(2)37)30(38)23-26-22-27(47-49(40,41)42)12-13-28(26)48-50(43,44)45;;/h12-13,22,24,29,31,39H,8-11,14-21,23H2,1-7H3,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2/t24-,29-,31+,33+,34-,35+,36-;;/m1../s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by po...


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478498
PNG
(CHEMBL519929)
Show SMILES C[C@@]12CCC(C1CC[C@@]1(C)C2CC2=C1C(=O)C=CC2=O)[C@@]1(C)CCC2O[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C |r,c:14,19|
Show InChI InChI=1S/C36H52O3/c1-31(2)15-8-16-36(7)27(31)13-19-35(6)29(39-36)14-20-34(35,5)24-12-17-32(3)23(24)11-18-33(4)28(32)21-22-25(37)9-10-26(38)30(22)33/h9-10,23-24,27-29H,8,11-21H2,1-7H3/t23?,24?,27?,28?,29?,32-,33+,34-,35-,36+/m1/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by po...


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50030219
PNG
(Biphenyl-4,4'-dicarboxylic acid bis-(3,6-disulfo-n...)
Show SMILES OS(=O)(=O)c1ccc2c(OC(=O)c3ccc(cc3)-c3ccc(cc3)C(=O)Oc3cc(cc4cc(ccc34)S(O)(=O)=O)S(O)(=O)=O)cc(cc2c1)S(O)(=O)=O
Show InChI InChI=1S/C34H22O16S4/c35-33(49-31-17-27(53(43,44)45)15-23-13-25(51(37,38)39)9-11-29(23)31)21-5-1-19(2-6-21)20-3-7-22(8-4-20)34(36)50-32-18-28(54(46,47)48)16-24-14-26(52(40,41)42)10-12-30(24)32/h1-18H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)
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n/an/a 1.44E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of Ribonuclease H activity of reverse transcriptase


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50030217
PNG
(CHEMBL313213 | Hexadecanoic acid 1-hexadecanoylami...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1c(OC(=O)CCCCCCCCCCCCCCC)cc(c2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C42H69NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-40(44)43-42-37-32-30-29-31-36(37)39(50(46,47)48)35-38(42)49-41(45)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35H,3-28,33-34H2,1-2H3,(H,43,44)(H,46,47,48)
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n/an/a 1.68E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of Ribonuclease H activity of reverse transcriptase


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50030220
PNG
(4-[(10R,13R)-17-(1,5-Dimethyl-hexyl)-10,13-dimethy...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O |t:14|
Show InChI InChI=1S/C38H53NO9S2/c1-22(2)7-6-8-23(3)30-11-12-31-29-10-9-25-19-26(13-15-37(25,4)32(29)14-16-38(30,31)5)48-36(41)39-33-20-27(49(42,43)44)17-24-18-28(50(45,46)47)21-34(40)35(24)33/h9,17-18,20-23,26,29-32,40H,6-8,10-16,19H2,1-5H3,(H,39,41)(H,42,43,44)(H,45,46,47)/t23?,26?,29?,30?,31?,32?,37-,38+/m0/s1
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n/an/a 2.18E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of Ribonuclease H activity of reverse transcriptase


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478743
PNG
(LKTVRLIKFLY)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C69H116N16O14/c1-12-42(10)56(66(96)78-48(23-16-18-30-70)59(89)81-53(36-44-21-14-13-15-22-44)63(93)80-51(34-39(4)5)62(92)82-54(68(98)99)37-45-26-28-46(87)29-27-45)84-64(94)52(35-40(6)7)79-60(90)50(25-20-32-75-69(73)74)77-65(95)55(41(8)9)83-67(97)57(43(11)86)85-61(91)49(24-17-19-31-71)76-58(88)47(72)33-38(2)3/h13-15,21-22,26-29,38-43,47-57,86-87H,12,16-20,23-25,30-37,70-72H2,1-11H3,(H,76,88)(H,77,95)(H,78,96)(H,79,90)(H,80,93)(H,81,89)(H,82,92)(H,83,97)(H,84,94)(H,85,91)(H,98,99)(H4,73,74,75)/t42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase by quantitative ELISA


J Biol Chem 282: 15743-53 (2007)


Article DOI: 10.1074/jbc.m609864200
BindingDB Entry DOI: 10.7270/Q2JQ13T6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478742
PNG
(CHEMBL526172)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C78H124N22O21/c1-10-41(7)61(97-69(113)54(32-45-33-86-49-19-13-12-17-47(45)49)90-60(107)35-88-66(110)55(36-101)96-73(117)62(42(8)11-2)98-70(114)56(37-102)94-64(108)48(79)18-14-26-84-77(80)81)72(116)92-52(30-40(5)6)67(111)95-57(38-103)71(115)99-63(43(9)104)74(118)93-53(31-44-22-24-46(105)25-23-44)68(112)91-51(29-39(3)4)65(109)87-34-59(106)89-50(20-15-27-85-78(82)83)75(119)100-28-16-21-58(100)76(120)121/h12-13,17,19,22-25,33,39-43,48,50-58,61-63,86,101-105H,10-11,14-16,18,20-21,26-32,34-38,79H2,1-9H3,(H,87,109)(H,88,110)(H,89,106)(H,90,107)(H,91,112)(H,92,116)(H,93,118)(H,94,108)(H,95,111)(H,96,117)(H,97,113)(H,98,114)(H,99,115)(H,120,121)(H4,80,81,84)(H4,82,83,85)/t41-,42-,43+,48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase by quantitative ELISA


J Biol Chem 282: 15743-53 (2007)


Article DOI: 10.1074/jbc.m609864200
BindingDB Entry DOI: 10.7270/Q2JQ13T6
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50030215
PNG
(4-Hexadecanoylamino-naphthalene-1,5-disulfonic aci...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1ccc(c2cccc(c12)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C26H39NO7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25(28)27-22-19-20-23(35(29,30)31)21-16-15-17-24(26(21)22)36(32,33)34/h15-17,19-20H,2-14,18H2,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)
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n/an/a 2.75E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of Ribonuclease H activity of reverse transcriptase


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478432
PNG
(CHEMBL448268)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC |r|
Show InChI InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37-,40+,41+,42-,43-/m1/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50030218
PNG
(4-Hexadecanoylamino-3-hydroxy-naphthalene-1-sulfon...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1c(O)cc(c2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C26H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25(29)27-26-22-18-16-15-17-21(22)24(20-23(26)28)33(30,31)32/h15-18,20,28H,2-14,19H2,1H3,(H,27,29)(H,30,31,32)
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n/an/a 4.76E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of Ribonuclease H activity of reverse transcriptase


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478438
PNG
(CHEBI:90507 | CHEMBL499250)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCC\C=C/CCCCCCCC |r|
Show InChI InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-44,47-49H,3-16,19-35H2,1-2H3/b18-17-/t36-,37-,40+,41+,42-,43-/m1/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478434
PNG
(CHEMBL470759)
Show SMILES [Na;v0+].[#8]-[#6]-[#6@@H](-[#8])-[#6]-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]S([#8-])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C9H18O10S.Na/c10-1-4(11)2-18-9-8(14)7(13)6(12)5(19-9)3-20(15,16)17;/h4-14H,1-3H2,(H,15,16,17);/q;+1/p-1/t4-,5-,6-,7+,8-,9+;/m1./s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030216
PNG
(4-[5-(3,6-disulfo-1-naphthyloxysulfonyl)-1-naphthy...)
Show SMILES OS(=O)(=O)c1ccc2c(OS(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)Oc3cc(cc4cc(ccc34)S(O)(=O)=O)S(O)(=O)=O)cc(cc2c1)S(O)(=O)=O
Show InChI InChI=1S/C30H20O18S6/c31-49(32,33)19-7-9-23-17(11-19)13-21(51(37,38)39)15-27(23)47-53(43,44)29-5-1-3-25-26(29)4-2-6-30(25)54(45,46)48-28-16-22(52(40,41)42)14-18-12-20(50(34,35)36)8-10-24(18)28/h1-16H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)
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n/an/a 9.13E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of DNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478433
PNG
(CHEMBL447743)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC |r|
Show InChI InChI=1S/C65H118O16/c1-4-7-10-13-16-19-22-25-26-29-30-33-36-39-42-45-55(67)75-49-52(78-56(68)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2)50-76-64-61(73)60(72)58(70)54(80-64)51-77-65-62(74)63(59(71)53(48-66)79-65)81-57(69)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3/h16,19,25-26,52-54,58-66,70-74H,4-15,17-18,20-24,27-51H2,1-3H3/b19-16-,26-25-/t52-,53-,54-,58+,59+,60+,61-,62-,63+,64-,65+/m1/s1
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n/an/a 9.94E+4n/an/an/an/an/an/a



Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478435
PNG
(CHEMBL450754)
Show SMILES OC[C@@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6-,7+,8-,9+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478439
PNG
(CHEBI:63774 | CHEMBL443117)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C41H78O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-42,45-47H,3-33H2,1-2H3/t34-,35-,38+,39+,40-,41-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478440
PNG
(CHEMBL472021)
Show SMILES OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H28O13/c16-1-5(18)3-25-14-13(24)11(22)9(20)7(28-14)4-26-15-12(23)10(21)8(19)6(2-17)27-15/h5-24H,1-4H2/t5-,6-,7-,8+,9+,10+,11+,12-,13-,14-,15+/m1/s1
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Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478441
PNG
(CHEBI:15754 | CHEMBL446492)
Show SMILES OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tel-Aviv University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP...


J Nat Prod 61: 891-5 (1998)


Article DOI: 10.1021/np970585j
BindingDB Entry DOI: 10.7270/Q2RX9FVR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50030216
PNG
(4-[5-(3,6-disulfo-1-naphthyloxysulfonyl)-1-naphthy...)
Show SMILES OS(=O)(=O)c1ccc2c(OS(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)Oc3cc(cc4cc(ccc34)S(O)(=O)=O)S(O)(=O)=O)cc(cc2c1)S(O)(=O)=O
Show InChI InChI=1S/C30H20O18S6/c31-49(32,33)19-7-9-23-17(11-19)13-21(51(37,38)39)15-27(23)47-53(43,44)29-5-1-3-25-26(29)4-2-6-30(25)54(45,46)48-28-16-22(52(40,41)42)14-18-12-20(50(34,35)36)8-10-24(18)28/h1-16H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)
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n/an/a 2.15E+5n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of Ribonuclease H activity of reverse transcriptase


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478493
PNG
(CHEMBL480885)
Show SMILES [H][C@]12CC[C@H](C)[C@@](C)(CC[C@]3(C)CCC[C@]4([H])C3=CC[C@@H](C)[C@@]4(C)Cc3cc(O)ccc3O)C1=CCCC2(C)C |r,c:37,t:18|
Show InChI InChI=1S/C36H54O2/c1-24-12-15-28-30(10-8-18-33(28,3)4)35(24,6)21-20-34(5)19-9-11-31-29(34)16-13-25(2)36(31,7)23-26-22-27(37)14-17-32(26)38/h10,14,16-17,22,24-25,28,31,37-38H,8-9,11-13,15,18-21,23H2,1-7H3/t24-,25+,28-,31+,34-,35+,36+/m0/s1
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Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by poly(rA)n.oligo(dT)n-di...


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478497
PNG
(Shaagrockol C)
Show SMILES [Na;v0+].[Na;v0+].[H][C@]12[#6]-[#6]-[#6@@H](-[#6])[C@]([#8])([#6]-[#6][C@]3([#6])[#6]-[#6]-[#6][C@@]4([#6])[#6](-[#6]-c5cc(-[#8]S([#8-])(=O)=O)ccc5-[#8]S([#8-])(=O)=O)=[#6](-[#6])-[#6]-[#6][C@]34[H])[C@@]1([#6])[#6]-[#6]-[#6]C([#6])([#6])[#8]2 |r,t:35|
Show InChI InChI=1S/C36H56O10S2.2Na/c1-24-10-14-30-33(5,20-21-36(37)25(2)11-15-31-35(36,7)19-8-16-32(3,4)44-31)17-9-18-34(30,6)28(24)23-26-22-27(45-47(38,39)40)12-13-29(26)46-48(41,42)43;;/h12-13,22,25,30-31,37H,8-11,14-21,23H2,1-7H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/t25-,30-,31+,33+,34+,35+,36-;;/m1../s1
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Sackler School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by poly(rA)n.oligo(dT)n-di...


J Nat Prod 56: 2120-5 (1993)


Article DOI: 10.1021/np50102a014
BindingDB Entry DOI: 10.7270/Q2PZ5CNF
More data for this
Ligand-Target Pair
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