BDBM50164644 2',3'-Dideoxyadenosine Triphosphate (Ddatp)::2',3'-dideoxyadenosine triphosphate::ATP,2',3'-dideoxy::CHEMBL1383::[[[5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid::ddA-TP::ddATP

SMILES: Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1

InChI Key: InChIKey=OAKPWEUQDVLTCN-NKWVEPMBSA-N

Data: 8 KI  3 IC50  1 Kd

PDB links: 11 PDB IDs match this monomer.

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 12 hits for monomerid = 50164644   

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)	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse Transcriptase (Human immunodeficiency virus 1)	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase M41L/D67N/L210W/T215Y mutant by steady state nucleotide incorporation assay				Antimicrob Agents Chemother 51: 2911-9 (2007) Article DOI: 10.1128/aac.00314-07 BindingDB Entry DOI: 10.7270/Q2CV4MJS
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	75.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 407-16 (2004) Article DOI: 10.1124/jpet.103.064907 BindingDB Entry DOI: 10.7270/Q2SQ8XZR
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by steady state nucleotide incorporation assay				Antimicrob Agents Chemother 51: 2911-9 (2007) Article DOI: 10.1128/aac.00314-07 BindingDB Entry DOI: 10.7270/Q2CV4MJS
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	406	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 407-16 (2004) Article DOI: 10.1124/jpet.103.064907 BindingDB Entry DOI: 10.7270/Q2SQ8XZR
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase (RT M184V)				J Med Chem 46: 4799-802 (2003) Article DOI: 10.1021/jm030048y BindingDB Entry DOI: 10.7270/Q2D50NQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Reverse transcriptase wild-type (RT wt)				J Med Chem 46: 4799-802 (2003) Article DOI: 10.1021/jm030048y BindingDB Entry DOI: 10.7270/Q2D50NQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase (RT M184I)				J Med Chem 46: 4799-802 (2003) Article DOI: 10.1021/jm030048y BindingDB Entry DOI: 10.7270/Q2D50NQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase beta (Homo sapiens (Human))	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase beta using 5-end radiolabeled 24nt to 48nt DNA as primer template after 5 mins in presence of dCTP/dGTP/dTTP/dATP ...				J Med Chem 62: 1859-1874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01300
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh School of Medicine Curated by ChEMBL					Assay Description Binding affinity to HIV1 reverse transcriptase				Antimicrob Agents Chemother 53: 3715-9 (2009) Article DOI: 10.1128/aac.00392-09 BindingDB Entry DOI: 10.7270/Q2KD21R2
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase beta using 5-end radiolabeled 24nt to 48nt DNA as primer template after 5 mins in presence of dCTP/dGTP/dTTP/dATP ...				J Med Chem 62: 1859-1874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01300
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	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				3D Structure (crystal)