Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 469.1 BDBM50408425

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 9 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50408425 (CHEMBL2092835) Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Max-Delbr�ck-Centrum f�r Molekulare Medizin Curated by ChEMBL					Assay Description Compound was evaluated for 50% inhibition of HIV-RT (HIV reverse transcriptase)				J Med Chem 41: 2040-6 (1998) Article DOI: 10.1021/jm9704210 BindingDB Entry DOI: 10.7270/Q2FT8MQT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50408425 (CHEMBL2092835) Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Max-Delbr�ck-Centrum f�r Molekulare Medizin Curated by ChEMBL					Assay Description Compound was evaluated for 50% inhibition of HIV-RT (HIV reverse transcriptase)				J Med Chem 41: 2040-6 (1998) Article DOI: 10.1021/jm9704210 BindingDB Entry DOI: 10.7270/Q2FT8MQT
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50408425 (CHEMBL2092835) Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max-Delbr�ck-Centrum f�r Molekulare Medizin Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of cellular DNA polymerase (beta)				J Med Chem 41: 2040-6 (1998) Article DOI: 10.1021/jm9704210 BindingDB Entry DOI: 10.7270/Q2FT8MQT
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50408425 (CHEMBL2092835) Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max-Delbr�ck-Centrum f�r Molekulare Medizin Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of cellular DNA polymerase (beta)				J Med Chem 41: 2040-6 (1998) Article DOI: 10.1021/jm9704210 BindingDB Entry DOI: 10.7270/Q2FT8MQT
					More data for this Ligand-Target Pair
DNA polymerase subunit gamma-1 (Homo sapiens (Human))	BDBM50408425 (CHEMBL2092835) Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max-Delbr�ck-Centrum f�r Molekulare Medizin Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of cellular DNA polymerase (gamma)				J Med Chem 41: 2040-6 (1998) Article DOI: 10.1021/jm9704210 BindingDB Entry DOI: 10.7270/Q2FT8MQT
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50408425 (CHEMBL2092835) Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max-Delbr�ck-Centrum f�r Molekulare Medizin Curated by ChEMBL					Assay Description Compound was evaluated for 50% inhibition of DHBV DNA polymerase (duck hepatitis B virus)				J Med Chem 41: 2040-6 (1998) Article DOI: 10.1021/jm9704210 BindingDB Entry DOI: 10.7270/Q2FT8MQT
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50408425 (CHEMBL2092835) Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max-Delbr�ck-Centrum f�r Molekulare Medizin Curated by ChEMBL					Assay Description Compound was evaluated for 50% inhibition of DHBV DNA polymerase (duck hepatitis B virus)				J Med Chem 41: 2040-6 (1998) Article DOI: 10.1021/jm9704210 BindingDB Entry DOI: 10.7270/Q2FT8MQT
					More data for this Ligand-Target Pair
DNA polymerase subunit gamma-1 (Homo sapiens (Human))	BDBM50408425 (CHEMBL2092835) Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max-Delbr�ck-Centrum f�r Molekulare Medizin Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of cellular DNA polymerase (gamma)				J Med Chem 41: 2040-6 (1998) Article DOI: 10.1021/jm9704210 BindingDB Entry DOI: 10.7270/Q2FT8MQT
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50408425 (CHEMBL2092835) Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Max-Delbr�ck-Centrum f�r Molekulare Medizin Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of cellular DNA polymerase (alpha)				J Med Chem 41: 2040-6 (1998) Article DOI: 10.1021/jm9704210 BindingDB Entry DOI: 10.7270/Q2FT8MQT
					More data for this Ligand-Target Pair