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PubMed code 28160944

Compile data set for download or QSAR
Found 6 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...)		BDBM222174
PNG
(N-(2-(2,3-Dioxoindolin-1-yl)acetyl)-4,6-dimethyl-2...)
Show SMILES CC1NC(=O)NC(C)=C1C(=O)NC(=O)CN1C(=O)C(=O)c2ccccc12 |c:7|
Show InChI InChI=1S/C17H16N4O5/c1-8-13(9(2)19-17(26)18-8)15(24)20-12(22)7-21-11-6-4-3-5-10(11)14(23)16(21)25/h3-6,8H,7H2,1-2H3,(H2,18,19,26)(H,20,22,24)
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n/an/a 64n/an/an/an/an/a37



Jaipur National University



Assay Description
To a lysis buffer (20 μl), 4-6 ng recombinant HIV-1-RT was added in separate reaction tubes. Lysis buffer without HIV-1-RT was used as a negative ...

Bioorg Chem 70: 256-266 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.006
BindingDB Entry DOI: 10.7270/Q2BG2MTH
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM222175
PNG
(N-(2-(2,3-Dioxoindolin-1-yl)acetyl)-4-ethyl-6-meth...)
Show SMILES CCC1NC(=O)NC(C)=C1C(=O)NC(=O)CN1C(=O)C(=O)c2ccccc12 |c:8|
Show InChI InChI=1S/C18H18N4O5/c1-3-11-14(9(2)19-18(27)20-11)16(25)21-13(23)8-22-12-7-5-4-6-10(12)15(24)17(22)26/h4-7,11H,3,8H2,1-2H3,(H2,19,20,27)(H,21,23,25)
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n/an/a 67n/an/an/an/an/a37



Jaipur National University



Assay Description
To a lysis buffer (20 μl), 4-6 ng recombinant HIV-1-RT was added in separate reaction tubes. Lysis buffer without HIV-1-RT was used as a negative ...

Bioorg Chem 70: 256-266 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.006
BindingDB Entry DOI: 10.7270/Q2BG2MTH
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM222178
PNG
(Rilpivirine)
Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+
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n/an/a 68n/an/an/an/an/a37



Jaipur National University



Assay Description
To a lysis buffer (20 μl), 4-6 ng recombinant HIV-1-RT was added in separate reaction tubes. Lysis buffer without HIV-1-RT was used as a negative ...

Bioorg Chem 70: 256-266 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.006
BindingDB Entry DOI: 10.7270/Q2BG2MTH
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM222176
PNG
(N-(2-(2,3-Dioxoindolin-1-yl)acetyl)-6-methyl-2-oxo...)
Show SMILES CCCC1NC(=O)NC(C)=C1C(=O)NC(=O)CN1C(=O)C(=O)c2ccccc12 |c:9|
Show InChI InChI=1S/C19H20N4O5/c1-3-6-12-15(10(2)20-19(28)21-12)17(26)22-14(24)9-23-13-8-5-4-7-11(13)16(25)18(23)27/h4-5,7-8,12H,3,6,9H2,1-2H3,(H2,20,21,28)(H,22,24,26)
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n/an/a>100n/an/an/an/an/a37



Jaipur National University



Assay Description
To a lysis buffer (20 μl), 4-6 ng recombinant HIV-1-RT was added in separate reaction tubes. Lysis buffer without HIV-1-RT was used as a negative ...

Bioorg Chem 70: 256-266 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.006
BindingDB Entry DOI: 10.7270/Q2BG2MTH
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM222177
PNG
(4-(4-Chlorophenyl)-N-(2-(2,3-dioxoindolin-1-yl)ace...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(Cl)cc1)C(=O)NC(=O)CN1C(=O)C(=O)c2ccccc12 |t:1|
Show InChI InChI=1S/C22H17ClN4O5/c1-11-17(18(26-22(32)24-11)12-6-8-13(23)9-7-12)20(30)25-16(28)10-27-15-5-3-2-4-14(15)19(29)21(27)31/h2-9,18H,10H2,1H3,(H2,24,26,32)(H,25,28,30)
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n/an/a>100n/an/an/an/an/a37



Jaipur National University



Assay Description
To a lysis buffer (20 μl), 4-6 ng recombinant HIV-1-RT was added in separate reaction tubes. Lysis buffer without HIV-1-RT was used as a negative ...

Bioorg Chem 70: 256-266 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.006
BindingDB Entry DOI: 10.7270/Q2BG2MTH
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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PubMed
n/an/a>100n/an/an/an/an/a37



Jaipur National University



Assay Description
To a lysis buffer (20 μl), 4-6 ng recombinant HIV-1-RT was added in separate reaction tubes. Lysis buffer without HIV-1-RT was used as a negative ...

Bioorg Chem 70: 256-266 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.006
BindingDB Entry DOI: 10.7270/Q2BG2MTH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%