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PubMed code 26914186

Compile data set for download or QSAR
Found 3 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...)		BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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Article
PubMed
n/an/a 370n/an/an/an/an/a37



Shandong University



Assay Description
A reverse transcriptase (RT) assay kit produced by Roche was selected for the RT inhibition assay. All the reagents for performing the RT reaction ...

Chem Biol Drug Des 88: 241-53 (2016)


Article DOI: 10.1111/cbdd.12751
BindingDB Entry DOI: 10.7270/Q2X065VJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 690n/an/an/an/an/a37



Shandong University



Assay Description
A reverse transcriptase (RT) assay kit produced by Roche was selected for the RT inhibition assay. All the reagents for performing the RT reaction ...

Chem Biol Drug Des 88: 241-53 (2016)


Article DOI: 10.1111/cbdd.12751
BindingDB Entry DOI: 10.7270/Q2X065VJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM189356
PNG
(N-(2-Bromo-4-sulfonamido-phenyl)-2-(1-(4-cycloprop...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ncccc3n2-c2ccc(C3CC3)c3ccccc23)c(Br)c1 |(10,-.03,;8.67,.74,;9.44,2.07,;7.9,-.59,;7.34,1.51,;6,.74,;4.67,1.51,;4.67,3.05,;3.34,3.82,;2,3.05,;2,1.51,;.67,3.82,;-.67,3.05,;-2,3.82,;-2.48,5.28,;-4.02,5.28,;-5.05,6.43,;-6.55,6.11,;-7.03,4.64,;-6,3.5,;-4.49,3.82,;-3.25,2.91,;-3.25,1.37,;-4.58,.6,;-4.58,-.94,;-3.25,-1.71,;-3.25,-3.25,;-4.02,-4.58,;-2.48,-4.58,;-1.91,-.94,;-.58,-1.71,;.76,-.94,;.76,.6,;-.58,1.37,;-1.91,.6,;6,3.82,;6,5.36,;7.34,3.05,)|
Show InChI InChI=1S/C27H22BrN5O3S2/c28-21-14-17(38(29,35)36)9-11-22(21)31-25(34)15-37-27-32-26-24(6-3-13-30-26)33(27)23-12-10-18(16-7-8-16)19-4-1-2-5-20(19)23/h1-6,9-14,16H,7-8,15H2,(H,31,34)(H2,29,35,36)
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n/an/a 1.50E+3n/an/an/an/an/a37



Shandong University



Assay Description
A reverse transcriptase (RT) assay kit produced by Roche was selected for the RT inhibition assay. All the reagents for performing the RT reaction ...

Chem Biol Drug Des 88: 241-53 (2016)


Article DOI: 10.1111/cbdd.12751
BindingDB Entry DOI: 10.7270/Q2X065VJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%