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:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50285269   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50285269 ((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 AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 ((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 AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 ((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 AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm00047a011 BindingDB Entry DOI: 10.7270/Q2D221BP
					More data for this Ligand-Target Pair