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PubMed code 24953602

Compile data set for download or QSAR
Found 12 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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50046719
PNG
(CHEMBL3310874)
Show SMILES [H][C@@]12Sc3ccccc3C(=O)N1[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C13H15NO5S/c15-5-7-9(16)10(17)11(18)13-14(7)12(19)6-3-1-2-4-8(6)20-13/h1-4,7,9-11,13,15-18H,5H2/t7-,9+,10-,11-,13-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50046726
PNG
(CHEMBL3310879)
Show SMILES [H][C@]12Sc3ccccc3C(=O)N1[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C13H15NO5S/c15-5-7-9(16)10(17)11(18)13-14(7)12(19)6-3-1-2-4-8(6)20-13/h1-4,7,9-11,13,15-18H,5H2/t7-,9+,10-,11-,13+/m0/s1
PDB
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50046721
PNG
(CHEMBL3310876)
Show SMILES [H][C@]12SCCC(=O)N1[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C9H15NO5S/c11-3-4-6(13)7(14)8(15)9-10(4)5(12)1-2-16-9/h4,6-9,11,13-15H,1-3H2/t4-,6-,7+,8+,9-/m1/s1
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PubMed
n/an/a 1.41E+3n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50046717
PNG
(CHEMBL2018791)
Show SMILES [H][C@@]12Sc3ccccc3C(=O)N1C[C@@H](O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C12H13NO4S/c14-7-5-13-11(17)6-3-1-2-4-8(6)18-12(13)10(16)9(7)15/h1-4,7,9-10,12,14-16H,5H2/t7-,9+,10+,12+/m1/s1
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PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50046724
PNG
(CHEMBL2018793)
Show SMILES [H][C@]12Sc3ccccc3C(=O)N1C[C@@H](O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C12H13NO4S/c14-7-5-13-11(17)6-3-1-2-4-8(6)18-12(13)10(16)9(7)15/h1-4,7,9-10,12,14-16H,5H2/t7-,9+,10+,12-/m1/s1
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Article
PubMed
n/an/a 3.83E+3n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50046725
PNG
(CHEMBL3310878)
Show SMILES [H][C@]12SCCC(=O)N1[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C9H15NO5S/c11-3-4-6(13)7(14)8(15)9-10(4)5(12)1-2-16-9/h4,6-9,11,13-15H,1-3H2/t4-,6+,7-,8-,9+/m0/s1
PDB
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 6.02E+3n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50046718
PNG
(CHEMBL3310873)
Show SMILES [H][C@@]12SCCC(=O)N1[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C9H15NO5S/c11-3-4-6(13)7(14)8(15)9-10(4)5(12)1-2-16-9/h4,6-9,11,13-15H,1-3H2/t4-,6+,7-,8-,9-/m0/s1
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Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
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
PubMed
n/an/a 1.82E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50046729
PNG
(CHEMBL3310881)
Show SMILES [H][C@]12Sc3ccccc3C(=O)N1[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C13H15NO5S/c15-5-7-9(16)10(17)11(18)13-14(7)12(19)6-3-1-2-4-8(6)20-13/h1-4,7,9-11,13,15-18H,5H2/t7-,9-,10+,11+,13-/m1/s1
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Article
PubMed
n/an/a 1.97E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50046727
PNG
(CHEMBL3310880)
Show SMILES [H][C@]12Sc3ncccc3C(=O)N1[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C12H14N2O5S/c15-4-6-7(16)8(17)9(18)12-14(6)11(19)5-2-1-3-13-10(5)20-12/h1-3,6-9,12,15-18H,4H2/t6-,7+,8-,9-,12+/m0/s1
PDB
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Article
PubMed
n/an/a 2.68E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50046720
PNG
(CHEMBL3310875)
Show SMILES [H][C@@]12Sc3ncccc3C(=O)N1[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C12H14N2O5S/c15-4-6-7(16)8(17)9(18)12-14(6)11(19)5-2-1-3-13-10(5)20-12/h1-3,6-9,12,15-18H,4H2/t6-,7+,8-,9-,12-/m0/s1
PDB
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Article
PubMed
n/an/a 3.14E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50046722
PNG
(CHEMBL3310877)
Show SMILES [H][C@]12Sc3ncccc3C(=O)N1[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C12H14N2O5S/c15-4-6-7(16)8(17)9(18)12-14(6)11(19)5-2-1-3-13-10(5)20-12/h1-3,6-9,12,15-18H,4H2/t6-,7-,8+,9+,12-/m1/s1
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PubMed
n/an/a 5.38E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis


Bioorg Med Chem Lett 24: 3426-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.079
BindingDB Entry DOI: 10.7270/Q25H7HWV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%