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BDBM50148762 CHEMBL3142917::[1-[2',5'-Bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[3-[[[(methoxycarbonyl)hydroxyphosphonyl]oxy]-propyl]thymine]-3''-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide); Sodium ion

SMILES: [Na+].COC(=O)P([O-])(=O)OCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O

InChI Key: InChIKey=VAWQHGBUNNNRMH-UHFFFAOYSA-M

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50148762   
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)
BDBM50148762
PNG
(CHEMBL3142917 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES [Na+].COC(=O)P([O-])(=O)OCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:35|
Show InChI InChI=1S/C29H52N3O13PSSi2/c1-19-16-32(25(34)31(23(19)33)14-13-15-41-46(36,37)26(35)40-8)24-22(44-49(11,12)28(5,6)7)29(20(30)18-47(38,39)45-29)21(43-24)17-42-48(9,10)27(2,3)4/h16,18,21-22,24H,13-15,17,30H2,1-12H3,(H,36,37)/p-1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50148762
PNG
(CHEMBL3142917 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES [Na+].COC(=O)P([O-])(=O)OCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:35|
Show InChI InChI=1S/C29H52N3O13PSSi2/c1-19-16-32(25(34)31(23(19)33)14-13-15-41-46(36,37)26(35)40-8)24-22(44-49(11,12)28(5,6)7)29(20(30)18-47(38,39)45-29)21(43-24)17-42-48(9,10)27(2,3)4/h16,18,21-22,24H,13-15,17,30H2,1-12H3,(H,36,37)/p-1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.94E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair