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BDBM50057803 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-(3-hydroxymethyl-4,5-dihydro-isoxazol-5-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL37350

SMILES: Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CC2CC(CO)=NO2)c1=O

InChI Key: InChIKey=KBRVGBKEVYVVMD-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50057803   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057803
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CC2CC(CO)=NO2)c1=O |c:23|
Show InChI InChI=1S/C15H20N6O6/c1-8-4-20(13-3-11(17-19-16)12(7-23)26-13)15(25)21(14(8)24)5-10-2-9(6-22)18-27-10/h4,10-13,22-23H,2-3,5-7H2,1H3
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair