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BDBM50148763 CHEMBL3142918::[1-[2',5'-Bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[3-[[[(hydroxycarbonyl)hydroxyphosphonyl]oxy]-propyl]thymine]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)

SMILES: Cc1cn([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)c(=O)n(CCCOP(O)(=O)C(O)=O)c1=O

InChI Key: InChIKey=LIXVMHIWCAYOGN-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50148763   
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)		BDBM50148763
PNG
(CHEMBL3142918 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES Cc1cn([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)c(=O)n(CCCOP(O)(=O)C(O)=O)c1=O |r,c:21|
Show InChI InChI=1S/C28H50N3O13PSSi2/c1-18-15-31(24(33)30(22(18)32)13-12-14-40-45(36,37)25(34)35)23-21(43-48(10,11)27(5,6)7)28(19(29)17-46(38,39)44-28)20(42-23)16-41-47(8,9)26(2,3)4/h15,17,20-21,23H,12-14,16,29H2,1-11H3,(H,34,35)(H,36,37)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
Article
PubMed
n/an/a 4.37E+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
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50148763
PNG
(CHEMBL3142918 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES Cc1cn([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)c(=O)n(CCCOP(O)(=O)C(O)=O)c1=O |r,c:21|
Show InChI InChI=1S/C28H50N3O13PSSi2/c1-18-15-31(24(33)30(22(18)32)13-12-14-40-45(36,37)25(34)35)23-21(43-48(10,11)27(5,6)7)28(19(29)17-46(38,39)44-28)20(42-23)16-41-47(8,9)26(2,3)4/h15,17,20-21,23H,12-14,16,29H2,1-11H3,(H,34,35)(H,36,37)
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
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50148763
PNG
(CHEMBL3142918 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES Cc1cn([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)c(=O)n(CCCOP(O)(=O)C(O)=O)c1=O |r,c:21|
Show InChI InChI=1S/C28H50N3O13PSSi2/c1-18-15-31(24(33)30(22(18)32)13-12-14-40-45(36,37)25(34)35)23-21(43-48(10,11)27(5,6)7)28(19(29)17-46(38,39)44-28)20(42-23)16-41-47(8,9)26(2,3)4/h15,17,20-21,23H,12-14,16,29H2,1-11H3,(H,34,35)(H,36,37)
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50148763
PNG
(CHEMBL3142918 | [1-[2',5'-Bis-O-(tert-butyldimethy...)
Show SMILES Cc1cn([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)c(=O)n(CCCOP(O)(=O)C(O)=O)c1=O |r,c:21|
Show InChI InChI=1S/C28H50N3O13PSSi2/c1-18-15-31(24(33)30(22(18)32)13-12-14-40-45(36,37)25(34)35)23-21(43-48(10,11)27(5,6)7)28(19(29)17-46(38,39)44-28)20(42-23)16-41-47(8,9)26(2,3)4/h15,17,20-21,23H,12-14,16,29H2,1-11H3,(H,34,35)(H,36,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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 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