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PubMed code 1720175

Compile data set for download or QSAR
Found 7 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)
BDBM50004152
PNG
((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...)
Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
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Article
PubMed
n/an/a 1.75E+4n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase from peripheral blood mononuclear cells.


J Med Chem 34: 3305-9 (1991)


Article DOI: 10.1021/jm00115a022
BindingDB Entry DOI: 10.7270/Q2DR2TFF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008017
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenylselany...)
Show SMILES Cc1c([Se]c2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4Se/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
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PubMed
n/an/a 9.03E+4n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase from peripheral blood mononuclear cells


J Med Chem 34: 3305-9 (1991)


Article DOI: 10.1021/jm00115a022
BindingDB Entry DOI: 10.7270/Q2DR2TFF
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008008
PNG
(5-Fluoro-1-(2-hydroxy-ethoxymethyl)-6-phenylselany...)
Show SMILES OCCOCn1c([Se]c2ccccc2)c(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H13FN2O4Se/c14-10-11(18)15-13(19)16(8-20-7-6-17)12(10)21-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,15,18,19)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase from peripheral blood mononuclear cells


J Med Chem 34: 3305-9 (1991)


Article DOI: 10.1021/jm00115a022
BindingDB Entry DOI: 10.7270/Q2DR2TFF
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008019
PNG
(5-Chloro-1-(2-hydroxy-ethoxymethyl)-6-phenylselany...)
Show SMILES OCCOCn1c([Se]c2ccccc2)c(Cl)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H13ClN2O4Se/c14-10-11(18)15-13(19)16(8-20-7-6-17)12(10)21-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,15,18,19)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase from peripheral blood mononuclear cells


J Med Chem 34: 3305-9 (1991)


Article DOI: 10.1021/jm00115a022
BindingDB Entry DOI: 10.7270/Q2DR2TFF
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008012
PNG
(5-Bromo-1-(2-hydroxy-ethoxymethyl)-6-phenylselanyl...)
Show SMILES OCCOCn1c([Se]c2ccccc2)c(Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H13BrN2O4Se/c14-10-11(18)15-13(19)16(8-20-7-6-17)12(10)21-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,15,18,19)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase from peripheral blood mononuclear cells


J Med Chem 34: 3305-9 (1991)


Article DOI: 10.1021/jm00115a022
BindingDB Entry DOI: 10.7270/Q2DR2TFF
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008010
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenylselany...)
Show SMILES Cc1c([Se]c2ccccc2)n(COCCO)c(=S)[nH]c1=O
Show InChI InChI=1S/C14H16N2O3SSe/c1-10-12(18)15-14(20)16(9-19-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,20)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase from peripheral blood mononuclear cells


J Med Chem 34: 3305-9 (1991)


Article DOI: 10.1021/jm00115a022
BindingDB Entry DOI: 10.7270/Q2DR2TFF
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008016
PNG
(1-(2-Hydroxy-ethoxymethyl)-6-phenylselanyl-1H-pyri...)
Show SMILES OCCOCn1c([Se]c2ccccc2)cc(=O)[nH]c1=O
Show InChI InChI=1S/C13H14N2O4Se/c16-6-7-19-9-15-12(8-11(17)14-13(15)18)20-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,14,17,18)
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Article
PubMed
n/an/a 1.39E+5n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase from peripheral blood mononuclear cells


J Med Chem 34: 3305-9 (1991)


Article DOI: 10.1021/jm00115a022
BindingDB Entry DOI: 10.7270/Q2DR2TFF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%