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Compile Data Set for Download or QSAR

Found 2 hits of kd for drug = Abacavir Sulfate, Lamivudine And Zidovudine   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serum albumin


(Homo sapiens (Human))
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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UniProtKB/SwissProt

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antibodypedia
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CHEBI
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KEGG
PC cid
PC sid
PDB
UniChem

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Similars

DrugBank
PDB
Article
PubMed
n/an/an/a 0.440n/an/an/an/an/a



Mercer University

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis


Bioorg Med Chem Lett 25: 3168-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.099
BindingDB Entry DOI: 10.7270/Q21N82W0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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UniProtKB/TrEMBL

GoogleScholar
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CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 5.40n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 reverse transcriptase assessed as compound incorporation into DNA by primer extension assay


J Med Chem 56: 8765-80 (2013)


Article DOI: 10.1021/jm401232v
BindingDB Entry DOI: 10.7270/Q2765J8Z
More data for this
Ligand-Target Pair