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BDBM50285269 (S,S)-isodideoxyadenosinetriphosphate::CHEMBL72472::Iso-dideoxy-Adenosine 5'-triphosphate::isodd-ATP

SMILES: Nc1ncnc2n(cnc12)C1COC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C1

InChI Key: InChIKey=JWGHBKKBCOBFMF-UHFFFAOYSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50285269   
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)
BDBM50285269
PNG
((S,S)-isodideoxyadenosinetriphosphate | CHEMBL7247...)
Show SMILES Nc1ncnc2n(cnc12)C1COC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C1
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-7(23-2-6)3-24-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against HIV reverse transcriptase (HIV RT)


Bioorg Med Chem Lett 5: 2235-2238 (1995)


Article DOI: 10.1016/0960-894X(95)00386-8
BindingDB Entry DOI: 10.7270/Q27H1JKK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50285269
PNG
((S,S)-isodideoxyadenosinetriphosphate | CHEMBL7247...)
Show SMILES Nc1ncnc2n(cnc12)C1COC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C1
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-7(23-2-6)3-24-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against HIV reverse transcriptase


Bioorg Med Chem Lett 7: 3195-3198 (1997)


Article DOI: 10.1016/S0960-894X(97)10183-4
BindingDB Entry DOI: 10.7270/Q2NZ885R
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50285269
PNG
((S,S)-isodideoxyadenosinetriphosphate | CHEMBL7247...)
Show SMILES Nc1ncnc2n(cnc12)C1COC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C1
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-7(23-2-6)3-24-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 35n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Concentration required to inhibit the HIV-1 recombinant Reverse Transcriptase (rRT) activity by 50%. Activated calf thymus DNA was used as template p...


J Med Chem 37: 3534-41 (1994)


BindingDB Entry DOI: 10.7270/Q2D221BP
More data for this
Ligand-Target Pair