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PubMed code 8385224

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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)
BDBM50044905
PNG
((10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,1...)
Show SMILES CCCCCCCCC1CCC2C3CC=C4C[C@@H](CCC4(C)C3CCC12C)OCC(=O)OCC1OC(C=C1)n1cc(C)c(=O)[nH]c1=O |c:40,t:14|
Show InChI InChI=1S/C39H58N2O6/c1-5-6-7-8-9-10-11-27-13-16-32-31-15-12-28-22-29(18-20-39(28,4)33(31)19-21-38(27,32)3)45-25-35(42)46-24-30-14-17-34(47-30)41-23-26(2)36(43)40-37(41)44/h12,14,17,23,27,29-34H,5-11,13,15-16,18-22,24-25H2,1-4H3,(H,40,43,44)/t27?,29-,30?,31?,32?,33?,34?,38?,39?/m1/s1
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n/an/an/an/a 20n/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.


J Med Chem 36: 826-30 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50013111
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |r,c:9|
Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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n/an/an/an/a 50n/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.


J Med Chem 36: 826-30 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50044910
PNG
(CHEMBL352398 | Phosphoric acid bis-[5-(5-methyl-2,...)
Show SMILES Cc1cn(C2OC(COP(O)(=O)OCC3OC(C=C3)n3cc(C)c(=O)[nH]c3=O)C=C2)c(=O)[nH]c1=O |c:17,30|
Show InChI InChI=1S/C20H23N4O10P/c1-11-7-23(19(27)21-17(11)25)15-5-3-13(33-15)9-31-35(29,30)32-10-14-4-6-16(34-14)24-8-12(2)18(26)22-20(24)28/h3-8,13-16H,9-10H2,1-2H3,(H,29,30)(H,21,25,27)(H,22,26,28)
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n/an/an/an/a 50n/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.


J Med Chem 36: 826-30 (1993)

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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n/an/an/an/a 10n/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.


J Med Chem 36: 826-30 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50044911
PNG
(CHEMBL170331 | Heptadeca-9,12,15-trienoic acid 5-(...)
Show SMILES C\C=C\C\C=C\C\C=C\CCCCCCCC(=O)OCC1OC(C=C1)n1cc(C)c(=O)[nH]c1=O |c:23|
Show InChI InChI=1S/C27H38N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)33-21-23-18-19-24(34-23)29-20-22(2)26(31)28-27(29)32/h3-4,6-7,9-10,18-20,23-24H,5,8,11-17,21H2,1-2H3,(H,28,31,32)/b4-3+,7-6+,10-9+
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n/an/an/an/a 40n/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.


J Med Chem 36: 826-30 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50044913
PNG
(CHEMBL440551 | Heptadeca-9,12-dienoic acid 5-(5-me...)
Show SMILES CCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1OC(C=C1)n1cc(C)c(=O)[nH]c1=O |c:23|
Show InChI InChI=1S/C27H40N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)33-21-23-18-19-24(34-23)29-20-22(2)26(31)28-27(29)32/h6-7,9-10,18-20,23-24H,3-5,8,11-17,21H2,1-2H3,(H,28,31,32)/b7-6+,10-9+
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n/an/an/an/a 20n/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.


J Med Chem 36: 826-30 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50044907
PNG
(CHEMBL166614 | Hexadecanoic acid 5-(5-methyl-2,4-d...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(C=C1)n1cc(C)c(=O)[nH]c1=O |c:22|
Show InChI InChI=1S/C26H42N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(29)32-20-22-17-18-23(33-22)28-19-21(2)25(30)27-26(28)31/h17-19,22-23H,3-16,20H2,1-2H3,(H,27,30,31)
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n/an/an/an/a 80n/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.


J Med Chem 36: 826-30 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50044908
PNG
(CHEMBL170006 | Phosphoric acid hexadecyl ester 5-(...)
Show SMILES CCCCCCCCCCCCCCCCOP(O)(=O)OCC1OC(C=C1)n1cc(C)c(=O)[nH]c1=O |c:25|
Show InChI InChI=1S/C26H45N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-36(31,32)34-21-23-17-18-24(35-23)28-20-22(2)25(29)27-26(28)30/h17-18,20,23-24H,3-16,19,21H2,1-2H3,(H,31,32)(H,27,29,30)
PDB
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n/an/an/an/a 200n/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.


J Med Chem 36: 826-30 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50044906
PNG
(CHEMBL353179 | Phosphoric acid 8-(10,13-dimethyl-3...)
Show SMILES Cc1cn(C2OC(COP(O)(=O)OCCCCCCCCC3CCC4C5CC=C6C[C@H](CCC6(C)C5CCC34C)OC=C)C=C2)c(=O)[nH]c1=O |c:47,t:27|
Show InChI InChI=1S/C39H59N2O8P/c1-5-46-30-19-21-39(4)29(24-30)13-16-32-33-17-14-28(38(33,3)22-20-34(32)39)12-10-8-6-7-9-11-23-47-50(44,45)48-26-31-15-18-35(49-31)41-25-27(2)36(42)40-37(41)43/h5,13,15,18,25,28,30-35H,1,6-12,14,16-17,19-24,26H2,2-4H3,(H,44,45)(H,40,42,43)/t28?,30-,31?,32?,33?,34?,35?,38?,39?/m0/s1
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n/an/an/an/a 50n/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.


J Med Chem 36: 826-30 (1993)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%