SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 338.4
BDBM50090910

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

Found 24 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
DNA polymerase catalytic subunit (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase				Bioorg Med Chem Lett 10: 2079-81 (2000) BindingDB Entry DOI: 10.7270/Q2222T0M
Pharmacia Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase catalytic subunit (Human cytomegalovirus (HCMV strain AD169) )	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.5	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				J Med Chem 48: 5794-804 (2005) Article DOI: 10.1021/jm050162b BindingDB Entry DOI: 10.7270/Q2G44R39
Pharmacia Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase catalytic subunit (Human herpesvirus 1 (strain KOS) (HHV-1) (Human he...)	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	438	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of HSV1 DNA polymerase by scintillation proximity assay				Bioorg Med Chem Lett 18: 3856-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.060 BindingDB Entry DOI: 10.7270/Q2RB75HB
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	464	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q26Q1VNZ
					More data for this Ligand-Target Pair
DNA polymerase catalytic subunit (Human cytomegalovirus (HCMV strain AD169) )	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	487	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of HCMV DNA polymerase by scintillation proximity assay				Bioorg Med Chem Lett 17: 3349-53 (2007) Article DOI: 10.1016/j.bmcl.2007.03.102 BindingDB Entry DOI: 10.7270/Q2HX1DHN
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase catalytic subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.5	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibition of herpes simplex virus type 1 DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes a...				J Med Chem 48: 5794-804 (2005) Article DOI: 10.1021/jm050162b BindingDB Entry DOI: 10.7270/Q2G44R39
Pharmacia Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Steroidogenic factor 1 (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	519	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PR7TCX
					More data for this Ligand-Target Pair
Steroidogenic factor 1 (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2319T8T
					More data for this Ligand-Target Pair
DNA polymerase catalytic subunit (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	7.5	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...				J Med Chem 48: 5794-804 (2005) Article DOI: 10.1021/jm050162b BindingDB Entry DOI: 10.7270/Q2G44R39
Pharmacia Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase catalytic subunit (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	7.5	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...				J Med Chem 48: 5794-804 (2005) Article DOI: 10.1021/jm050162b BindingDB Entry DOI: 10.7270/Q2G44R39
Pharmacia Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	758	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.40E+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 alpha using 5' end radiolabeled 24nt DNA/48nt DNA as primer/template after 5 mins by PAGE analysis				J Med Chem 60: 5424-5437 (2017) Article DOI: 10.1021/acs.jmedchem.7b00067 BindingDB Entry DOI: 10.7270/Q2BZ6873
Emory University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase alpha				Bioorg Med Chem Lett 20: 3039-42 (2010) Article DOI: 10.1016/j.bmcl.2010.03.115 BindingDB Entry DOI: 10.7270/Q2000281
Pfizer, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.5	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibition of human alpha DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...				J Med Chem 48: 5794-804 (2005) Article DOI: 10.1021/jm050162b BindingDB Entry DOI: 10.7270/Q2G44R39
Pharmacia Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Human alpha polymerase				Bioorg Med Chem Lett 10: 2079-81 (2000) BindingDB Entry DOI: 10.7270/Q2222T0M
Pharmacia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.30E+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 alpha 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 BindingDB Entry DOI: 10.7270/Q2M048WP
Emory University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.30E+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 alpha 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 BindingDB Entry DOI: 10.7270/Q2M048WP
Emory University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
303A College Road East Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase alpha assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...				Antimicrob Agents Chemother 54: 3187-96 (2010) Article DOI: 10.1128/AAC.00399-10 BindingDB Entry DOI: 10.7270/Q2G1614S
303A College Road East Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase delta catalytic subunit (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibition of human delta DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...				J Med Chem 48: 5794-804 (2005) Article DOI: 10.1021/jm050162b BindingDB Entry DOI: 10.7270/Q2G44R39
Pharmacia Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase beta (Rattus norvegicus)	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of rat recombinant DNA polymerase beta expressed in Escherichia coli JMpbeta5 cells assessed as incorporation of [3H]dTTP into poly(dA)/ol...				J Nat Prod 77: 1404-12 (2014) Article DOI: 10.1021/np500143k BindingDB Entry DOI: 10.7270/Q24M9639
Kobe Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
303A College Road East Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase beta assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper binding...				Antimicrob Agents Chemother 54: 3187-96 (2010) Article DOI: 10.1128/AAC.00399-10 BindingDB Entry DOI: 10.7270/Q2G1614S
303A College Road East Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase subunit gamma-1 (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
303A College Road East Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase gamma assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...				Antimicrob Agents Chemother 54: 3187-96 (2010) Article DOI: 10.1128/AAC.00399-10 BindingDB Entry DOI: 10.7270/Q2G1614S
303A College Road East Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase lambda (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged DNA polymerase lambda assessed as reduction in [3H]dTTP incorporation using poly(dA)/oligo(dT)18 as templa...				J Nat Prod 79: 1798-807 (2016) Article DOI: 10.1021/acs.jnatprod.6b00255 BindingDB Entry DOI: 10.7270/Q2930W5F
Kobe Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone \| 6,13-di...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against DNA polymerase alpha				J Med Chem 36: 3503-10 (1994) BindingDB Entry DOI: 10.7270/Q2HT2PXP
Wellcome Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)