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PubMed code 27992102

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...)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
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 25n/an/an/an/a8.1n/a



University of Siena



Assay Description
The RNA-dependent DNA polymerase (RDDP) activity associated with HIV-1 RT was measured by use of the Invitrogen EnzCheck Reverse Transcriptase Assay ...


Chembiochem 18: 374-377 (2017)


Article DOI: 10.1002/cbic.201600592
BindingDB Entry DOI: 10.7270/Q2N29VS8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50179009
PNG
(CHEMBL377937 | Kuwanon L)
Show SMILES CC1=C[C@@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c1O
Show InChI InChI=1S/C35H30O11/c1-15-8-22(19-4-2-16(36)10-25(19)40)31(34(44)20-5-3-17(37)11-26(20)41)23(9-15)32-24(39)7-6-21(35(32)45)29-14-28(43)33-27(42)12-18(38)13-30(33)46-29/h2-7,9-13,22-23,29,31,36-42,45H,8,14H2,1H3/t22-,23-,29-,31-/m0/s1
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Article
PubMed
n/an/a 570n/an/an/an/a7.8n/a



University of Siena



Assay Description
The RNase H activity associated with HIV-1 RT was measured in a 100 mL reactionvolume containing Tris·HCl (pH 7.8, 50 mm), MgCl2 (6 mm), dithiothreit...


Chembiochem 18: 374-377 (2017)


Article DOI: 10.1002/cbic.201600592
BindingDB Entry DOI: 10.7270/Q2N29VS8
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50179009
PNG
(CHEMBL377937 | Kuwanon L)
Show SMILES CC1=C[C@@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c1O
Show InChI InChI=1S/C35H30O11/c1-15-8-22(19-4-2-16(36)10-25(19)40)31(34(44)20-5-3-17(37)11-26(20)41)23(9-15)32-24(39)7-6-21(35(32)45)29-14-28(43)33-27(42)12-18(38)13-30(33)46-29/h2-7,9-13,22-23,29,31,36-42,45H,8,14H2,1H3/t22-,23-,29-,31-/m0/s1
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Article
PubMed
n/an/a 990n/an/an/an/a8.1n/a



University of Siena



Assay Description
The RNA-dependent DNA polymerase (RDDP) activity associated with HIV-1 RT was measured by use of the Invitrogen EnzCheck Reverse Transcriptase Assay ...


Chembiochem 18: 374-377 (2017)


Article DOI: 10.1002/cbic.201600592
BindingDB Entry DOI: 10.7270/Q2N29VS8
More data for this
Ligand-Target Pair
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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Article
PubMed
n/an/a 7.40E+3n/an/an/an/a7.8n/a



University of Siena



Assay Description
The RNase H activity associated with HIV-1 RT was measured in a 100 mL reactionvolume containing Tris·HCl (pH 7.8, 50 mm), MgCl2 (6 mm), dithiothreit...


Chembiochem 18: 374-377 (2017)


Article DOI: 10.1002/cbic.201600592
BindingDB Entry DOI: 10.7270/Q2N29VS8
More data for this
Ligand-Target Pair
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
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
PDB
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UniProtKB/SwissProt

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CHEMBL
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PDB
Article
PubMed
n/an/a>5.00E+4n/an/an/an/a7.8n/a



University of Siena



Assay Description
The RNase H activity associated with HIV-1 RT was measured in a 100 mL reactionvolume containing Tris·HCl (pH 7.8, 50 mm), MgCl2 (6 mm), dithiothreit...


Chembiochem 18: 374-377 (2017)


Article DOI: 10.1002/cbic.201600592
BindingDB Entry DOI: 10.7270/Q2N29VS8
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+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/a8.1n/a



University of Siena



Assay Description
The RNA-dependent DNA polymerase (RDDP) activity associated with HIV-1 RT was measured by use of the Invitrogen EnzCheck Reverse Transcriptase Assay ...


Chembiochem 18: 374-377 (2017)


Article DOI: 10.1002/cbic.201600592
BindingDB Entry DOI: 10.7270/Q2N29VS8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%