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PubMed code 26946324

Compile data set for download or QSAR
Found 14 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


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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Article
PubMed
n/an/a 20n/an/an/an/a8.137



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM189342
PNG
(RDS1759)
Show SMILES CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccccc1Cl
Show InChI InChI=1S/C19H18ClNO4/c1-2-25-19(24)18(23)12-16(22)10-9-15-7-5-11-21(15)13-14-6-3-4-8-17(14)20/h3-11H,2,12-13H2,1H3/b10-9+
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PubMed
n/an/a 7.50E+3n/an/an/an/a7.837



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM189337
PNG
(STOCK5S-18255 (2))
Show SMILES CCCCCn1c(=O)n(C)c2nc3N(CCCn3c2c1=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-3-4-8-16-31-24(32)22-23(28(2)26(31)33)27-25-29(17-9-18-30(22)25)19-12-14-21(15-13-19)34-20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3
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n/an/a 2.50E+4n/an/an/an/a7.837



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM189341
PNG
(STOCK4S-60534 (6))
Show SMILES CCOc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(CC(=O)OCc3ccccc3)c(=O)c21
Show InChI InChI=1S/C26H27N5O6/c1-3-36-20-11-9-18(10-12-20)29-13-19(32)14-30-22-23(27-25(29)30)28(2)26(35)31(24(22)34)15-21(33)37-16-17-7-5-4-6-8-17/h4-12,19,32H,3,13-16H2,1-2H3
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n/an/a 2.85E+4n/an/an/an/a8.137



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM189341
PNG
(STOCK4S-60534 (6))
Show SMILES CCOc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(CC(=O)OCc3ccccc3)c(=O)c21
Show InChI InChI=1S/C26H27N5O6/c1-3-36-20-11-9-18(10-12-20)29-13-19(32)14-30-22-23(27-25(29)30)28(2)26(35)31(24(22)34)15-21(33)37-16-17-7-5-4-6-8-17/h4-12,19,32H,3,13-16H2,1-2H3
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n/an/a 3.30E+4n/an/an/an/a7.837



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM189337
PNG
(STOCK5S-18255 (2))
Show SMILES CCCCCn1c(=O)n(C)c2nc3N(CCCn3c2c1=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-3-4-8-16-31-24(32)22-23(28(2)26(31)33)27-25-29(17-9-18-30(22)25)19-12-14-21(15-13-19)34-20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3
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PubMed
n/an/a 6.90E+4n/an/an/an/a8.137



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM60932
PNG
(STOCK4S-37006 (4))
Show SMILES CCCCCn1c(=O)n(C)c2nc3N(CC(C)Cn3c2c1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H29N5O3/c1-5-6-7-12-25-20(28)18-19(24(3)22(25)29)23-21-26(13-15(2)14-27(18)21)16-8-10-17(30-4)11-9-16/h8-11,15H,5-7,12-14H2,1-4H3
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n/an/a 9.70E+4n/an/an/an/a7.837



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM189338
PNG
(STOCK2S-18057 (3))
Show SMILES CCc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H21N5O3/c1-4-11-5-7-12(8-6-11)22-9-13(24)10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h5-8,13,24H,4,9-10H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a8.137



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM189340
PNG
(STOCK5S-55040 (5))
Show SMILES CCOc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(CC(N)=O)c(=O)c21
Show InChI InChI=1S/C19H22N6O5/c1-3-30-13-6-4-11(5-7-13)23-8-12(26)9-24-15-16(21-18(23)24)22(2)19(29)25(17(15)28)10-14(20)27/h4-7,12,26H,3,8-10H2,1-2H3,(H2,20,27)
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n/an/a>1.00E+5n/an/an/an/a7.837



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM60932
PNG
(STOCK4S-37006 (4))
Show SMILES CCCCCn1c(=O)n(C)c2nc3N(CC(C)Cn3c2c1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H29N5O3/c1-5-6-7-12-25-20(28)18-19(24(3)22(25)29)23-21-26(13-15(2)14-27(18)21)16-8-10-17(30-4)11-9-16/h8-11,15H,5-7,12-14H2,1-4H3
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n/an/a 1.00E+5n/an/an/an/a8.137



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM189336
PNG
(MAS0 (1))
Show SMILES Cn1c2nc3N(CC(O)Cn3c2c(=O)n(C)c1=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H17N5O4/c1-18-13-12(14(24)19(2)16(18)25)21-8-11(23)7-20(15(21)17-13)9-3-5-10(22)6-4-9/h3-6,11,22-23H,7-8H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/a7.837



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM189338
PNG
(STOCK2S-18057 (3))
Show SMILES CCc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H21N5O3/c1-4-11-5-7-12(8-6-11)22-9-13(24)10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h5-8,13,24H,4,9-10H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a7.837



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM189336
PNG
(MAS0 (1))
Show SMILES Cn1c2nc3N(CC(O)Cn3c2c(=O)n(C)c1=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H17N5O4/c1-18-13-12(14(24)19(2)16(18)25)21-8-11(23)7-20(15(21)17-13)9-3-5-10(22)6-4-9/h3-6,11,22-23H,7-8H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/a8.137



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM189340
PNG
(STOCK5S-55040 (5))
Show SMILES CCOc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(CC(N)=O)c(=O)c21
Show InChI InChI=1S/C19H22N6O5/c1-3-30-13-6-4-11(5-7-13)23-8-12(26)9-24-15-16(21-18(23)24)22(2)19(29)25(17(15)28)10-14(20)27/h4-7,12,26H,3,8-10H2,1-2H3,(H2,20,27)
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n/an/a>1.00E+5n/an/an/an/a8.137



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Chembiochem 17: 683-8 (2016)


Article DOI: 10.1002/cbic.201500668
BindingDB Entry DOI: 10.7270/Q25H7F28
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%