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PubMed code 15857150

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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM10237
PNG
(6-chloro-1-[(2,6-difluorophenyl)methyl]-2,3-dihydr...)
Show SMILES Fc1cccc(F)c1Cn1c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C14H9ClF2N2O/c15-8-4-5-12-13(6-8)19(14(20)18-12)7-9-10(16)2-1-3-11(9)17/h1-6H,7H2,(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 2.86E+3n/an/an/an/a7.537



Universita di Messina



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 48: 3433-7 (2005)


Article DOI: 10.1021/jm049279a
BindingDB Entry DOI: 10.7270/Q27D2SC4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM10243
PNG
(6-chloro-1-(naphthalen-2-ylmethyl)-2,3-dihydro-1H-...)
Show SMILES Clc1ccc2[nH]c(=O)n(Cc3ccc4ccccc4c3)c2c1
Show InChI InChI=1S/C18H13ClN2O/c19-15-7-8-16-17(10-15)21(18(22)20-16)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H,20,22)
PDB
MMDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 5.20E+3n/an/an/an/a7.537



Universita di Messina



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 48: 3433-7 (2005)


Article DOI: 10.1021/jm049279a
BindingDB Entry DOI: 10.7270/Q27D2SC4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM10240
PNG
(6-chloro-1-[(2,6-dichlorophenyl)methyl]-2,3-dihydr...)
Show SMILES Clc1ccc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2c1
Show InChI InChI=1S/C14H9Cl3N2O/c15-8-4-5-12-13(6-8)19(14(20)18-12)7-9-10(16)2-1-3-11(9)17/h1-6H,7H2,(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 7.50E+3n/an/an/an/a7.537



Universita di Messina



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 48: 3433-7 (2005)


Article DOI: 10.1021/jm049279a
BindingDB Entry DOI: 10.7270/Q27D2SC4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM10242
PNG
(6-chloro-1-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-...)
Show SMILES Clc1ccc2[nH]c(=O)n(Cc3cccc4ccccc34)c2c1
Show InChI InChI=1S/C18H13ClN2O/c19-14-8-9-16-17(10-14)21(18(22)20-16)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2,(H,20,22)
PDB
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Article
PubMed
n/an/a 1.27E+4n/an/an/an/a7.537



Universita di Messina



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 48: 3433-7 (2005)


Article DOI: 10.1021/jm049279a
BindingDB Entry DOI: 10.7270/Q27D2SC4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM10241
PNG
(6-chloro-1-{[4-(propan-2-yl)phenyl]methyl}-2,3-dih...)
Show SMILES CC(C)c1ccc(Cn2c3cc(Cl)ccc3[nH]c2=O)cc1
Show InChI InChI=1S/C17H17ClN2O/c1-11(2)13-5-3-12(4-6-13)10-20-16-9-14(18)7-8-15(16)19-17(20)21/h3-9,11H,10H2,1-2H3,(H,19,21)
PDB
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UniChem

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Article
PubMed
n/an/a 1.62E+4n/an/an/an/a7.537



Universita di Messina



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 48: 3433-7 (2005)


Article DOI: 10.1021/jm049279a
BindingDB Entry DOI: 10.7270/Q27D2SC4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM10239
PNG
(5-chloro-3-[(2,6-difluorophenyl)methyl]-2,3-dihydr...)
Show SMILES Fc1cccc(F)c1Cn1c2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C14H8ClF2NO2/c15-8-4-5-13-12(6-8)18(14(19)20-13)7-9-10(16)2-1-3-11(9)17/h1-6H,7H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/a7.537



Universita di Messina



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 48: 3433-7 (2005)


Article DOI: 10.1021/jm049279a
BindingDB Entry DOI: 10.7270/Q27D2SC4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM10245
PNG
(3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....)
Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12
Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
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UniChem

Patents

Article
PubMed
n/an/a 2.46E+4n/an/an/an/a7.537



Universita di Messina



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 48: 3433-7 (2005)


Article DOI: 10.1021/jm049279a
BindingDB Entry DOI: 10.7270/Q27D2SC4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM10244
PNG
(6-chloro-1-(cyclohexylmethyl)-2,3-dihydro-1H-1,3-b...)
Show SMILES Clc1ccc2[nH]c(=O)n(CC3CCCCC3)c2c1
Show InChI InChI=1S/C14H17ClN2O/c15-11-6-7-12-13(8-11)17(14(18)16-12)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.00E+4n/an/an/an/a7.537



Universita di Messina



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 48: 3433-7 (2005)


Article DOI: 10.1021/jm049279a
BindingDB Entry DOI: 10.7270/Q27D2SC4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM10238
PNG
(5-chloro-1-[(2,6-difluorophenyl)methyl]-2,3-dihydr...)
Show SMILES Fc1cccc(F)c1Cn1c2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C14H9ClF2N2O/c15-8-4-5-13-12(6-8)18-14(20)19(13)7-9-10(16)2-1-3-11(9)17/h1-6H,7H2,(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+4n/an/an/an/a7.537



Universita di Messina



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 48: 3433-7 (2005)


Article DOI: 10.1021/jm049279a
BindingDB Entry DOI: 10.7270/Q27D2SC4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%