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BDBM50057821 CHEMBL39945::[3-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-ylmethyl]-phosphonic acid diethyl ester

SMILES: CCOP(=O)(Cn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O)OCC

InChI Key: InChIKey=RZVLDHJTQABVOG-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50057821   
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)
BDBM50057821
PNG
(CHEMBL39945 | [3-(4-Azido-5-hydroxymethyl-tetrahyd...)
Show SMILES CCOP(=O)(Cn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O)OCC
Show InChI InChI=1S/C15H24N5O7P/c1-4-25-28(24,26-5-2)9-20-14(22)10(3)7-19(15(20)23)13-6-11(17-18-16)12(8-21)27-13/h7,11-13,21H,4-6,8-9H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.70E+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