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BDBM50148760 CHEMBL3142914::[1-[2',5'-Bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[(3-[[[(ethyloxycarbonyl)hydroxyphosphonyl]-oxy]propyl]thymine]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)

SMILES: CCOC(=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=CTSDERUTWFGEEA-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50148760   
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)		BDBM50148760
PNG
(CHEMBL3142914 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES CCOC(=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:36|
Show InChI InChI=1S/C30H54N3O13PSSi2/c1-13-41-27(36)47(37,38)42-16-14-15-32-24(34)20(2)17-33(26(32)35)25-23(45-50(11,12)29(6,7)8)30(21(31)19-48(39,40)46-30)22(44-25)18-43-49(9,10)28(3,4)5/h17,19,22-23,25H,13-16,18,31H2,1-12H3,(H,37,38)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
Article
PubMed
n/an/a 6.30E+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
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50148760
PNG
(CHEMBL3142914 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES CCOC(=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:36|
Show InChI InChI=1S/C30H54N3O13PSSi2/c1-13-41-27(36)47(37,38)42-16-14-15-32-24(34)20(2)17-33(26(32)35)25-23(45-50(11,12)29(6,7)8)30(21(31)19-48(39,40)46-30)22(44-25)18-43-49(9,10)28(3,4)5/h17,19,22-23,25H,13-16,18,31H2,1-12H3,(H,37,38)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.93E+5n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of TSAO resistant HIV1 3B reverse transcriptase E138K mutant using polyC/oligo(dG12) as template/primer in presence of [3H]dGTP and calf t...

Eur J Med Chem 150: 206-227 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.007
BindingDB Entry DOI: 10.7270/Q2D79F0J
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50148760
PNG
(CHEMBL3142914 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES CCOC(=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:36|
Show InChI InChI=1S/C30H54N3O13PSSi2/c1-13-41-27(36)47(37,38)42-16-14-15-32-24(34)20(2)17-33(26(32)35)25-23(45-50(11,12)29(6,7)8)30(21(31)19-48(39,40)46-30)22(44-25)18-43-49(9,10)28(3,4)5/h17,19,22-23,25H,13-16,18,31H2,1-12H3,(H,37,38)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 3B reverse transcriptase using polyC/oligo(dG12) as template/primer in presence of [3H]dGTP and calf thymus DNA after 30 mins

Eur J Med Chem 150: 206-227 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.007
BindingDB Entry DOI: 10.7270/Q2D79F0J
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50148760
PNG
(CHEMBL3142914 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES CCOC(=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:36|
Show InChI InChI=1S/C30H54N3O13PSSi2/c1-13-41-27(36)47(37,38)42-16-14-15-32-24(34)20(2)17-33(26(32)35)25-23(45-50(11,12)29(6,7)8)30(21(31)19-48(39,40)46-30)22(44-25)18-43-49(9,10)28(3,4)5/h17,19,22-23,25H,13-16,18,31H2,1-12H3,(H,37,38)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
Article
PubMed
n/an/a 2.93E+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