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BDBM50060160 (S)-2-[[3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-(2-cyano-ethoxy)-phosphorylamino]-3-(1H-indol-3-yl)-propionic acid methyl ester::CHEMBL300454

SMILES: COC(=O)[C@H](Cc1c[nH]c2ccccc12)NP(=O)(OCCC#N)OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O

InChI Key: InChIKey=LAUPZWJCAHDSFU-NQYSYDBVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50060160   
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)
BDBM50060160
PNG
((S)-2-[[3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-...)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NP(=O)(OCCC#N)OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C25H29N8O8P/c1-15-13-33(25(36)29-23(15)34)22-11-19(30-32-27)21(41-22)14-40-42(37,39-9-5-8-26)31-20(24(35)38-2)10-16-12-28-18-7-4-3-6-17(16)18/h3-4,6-7,12-13,19-22,28H,5,9-11,14H2,1-2H3,(H,31,37)(H,29,34,36)/t19?,20-,21?,22?,42?/m0/s1
PDB
MMDB

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Similars

Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of the compound towards HIV-reverse transcriptase


Bioorg Med Chem Lett 5: 1819-1824 (1995)


Article DOI: 10.1016/0960-894X(95)00302-A
BindingDB Entry DOI: 10.7270/Q23T9H64
More data for this
Ligand-Target Pair