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PubMed code 26802545

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
Reverse transcriptase


(Human immunodeficiency virus 1)
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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MCE
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Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)-oligo(dT) as template/primer and digoxigen...


Eur J Med Chem 109: 294-304 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.039
BindingDB Entry DOI: 10.7270/Q2QC05CX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50139129
PNG
(CHEMBL3759634)
Show SMILES CN(C)CCNc1cc(Oc2c(C)cc(cc2C)C#N)cc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C25H26N6O/c1-17-11-20(16-27)12-18(2)25(17)32-22-13-23(28-9-10-31(3)4)30-24(14-22)29-21-7-5-19(15-26)6-8-21/h5-8,11-14H,9-10H2,1-4H3,(H2,28,29,30)
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UniChem

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Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)-oligo(dT) as template/primer and digoxigen...


Eur J Med Chem 109: 294-304 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.039
BindingDB Entry DOI: 10.7270/Q2QC05CX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
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)
PDB
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UniProtKB/TrEMBL

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CHEMBL
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KEGG
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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)-oligo(dT) as template/primer and digoxigen...


Eur J Med Chem 109: 294-304 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.039
BindingDB Entry DOI: 10.7270/Q2QC05CX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%