Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 516.6 BDBM50261285

Wt: 515.6 BDBM426312

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

Found 5 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
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM426312 (US10513534, Compound 401) Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc(=O)[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER US Patent					Assay Description Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...				US Patent US10513534 (2019) BindingDB Entry DOI: 10.7270/Q2BC41XJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM426312 (US10513534, Compound 401) Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc(=O)[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER US Patent									US Patent US10513534 (2019) BindingDB Entry DOI: 10.7270/Q2BC41XJ
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase, mitochondrial (Homo sapiens (Human))	BDBM50261285 (CHEMBL4069349) Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16ClN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX an MSD Company Curated by ChEMBL					Assay Description Inhibition of human mitochondrial RNA polymerase				Bioorg Med Chem Lett 27: 4323-4330 (2017) Article DOI: 10.1016/j.bmcl.2017.08.029 BindingDB Entry DOI: 10.7270/Q2MP55QG
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50261285 (CHEMBL4069349) Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16ClN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX an MSD Company Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase alpha				Bioorg Med Chem Lett 27: 4323-4330 (2017) Article DOI: 10.1016/j.bmcl.2017.08.029 BindingDB Entry DOI: 10.7270/Q2MP55QG
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50261285 (CHEMBL4069349) Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16ClN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX an MSD Company Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase beta				Bioorg Med Chem Lett 27: 4323-4330 (2017) Article DOI: 10.1016/j.bmcl.2017.08.029 BindingDB Entry DOI: 10.7270/Q2MP55QG
					More data for this Ligand-Target Pair