Pharmacology Interaction Data for Targets and Ligands

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This dataset shows the Interaction Data for Targets and Ligands from the Guide to PHARMACOLOGY; an online, open-access portal to pharmacological information on all the human targets of prescription drugs, which is the product from the collaboration of the International Union of Basic and Clinical Pharmacology (IUPHAR) and the British Pharmacological Society (BPS).

Complexity

The data types captured in this dataset include target nomenclature, pharmacological data, and ligand structures. Organisms isolated in this data are from human, mouse, and rat.

In future versions, the plan is to add resources for education and training in pharmacological principles and techniques along with research guidelines and overviews of key topics. It is the hope of IUPHAR/BPS Guide to PHARMACOLOGY to be useful for researchers and students in pharmacology and drug discovery and provide the general public with accurate information on the basic science underlying drug action.

The information provided in this dataset shows the initial view or landing pages for each target family that provides expert-curated overviews of the key properties and selective ligands and tool compounds available. Additional information can be found also in other databases including Ensembl, UniProt, PubChem, ChEMBL, and DrugBank, as well as curated chemical information and literature citations in PubMed.

This dataset contains quantitative ligand-to-protein interaction mappings. Relationship data across all targets and interaction type include targets with ligand interactions, targets with quantitative ligand interactions, targets with approved drug interactions, primary targets with approved interactions, ligand with target interactions, ligands with quantitative interactions (approved drugs), ligands with clinical use summaries (approved drugs), number of binding constants and number of binding constants curated from literature.

Date Created

2011

Last Modified

2020-03-12

Version

2020.2

Update Frequency

Quarterly

Temporal Coverage

N/A

Spatial Coverage

N/A

Source

John Snow Labs; International Union of Basic and Clinical Pharmacology (IUPHAR) and the British Pharmacological Society (BPS) Guide to PHARMACOLOGY;

Source License URL

Source License Requirements

N/A

Source Citation

Southan C, Sharman JL, Benson HE, Faccenda E, Pawson AJ, Alexander SPH, Buneman OP, Davenport AP, McGrath JC, Peters JA, Spedding M, Catterall WA, Fabbro D, Davies JA; NC-IUPHAR. (2016) The IUPHAR/BPS Guide to PHARMACOLOGY in 2016 towards curated quantitative interactions between 1300 protein targets and 6000 ligands. Nucl. Acids Res. 44 (Database Issue) D1054-68

Keywords

Gene Sequencing, Genome Sequencing, DNA Sequencing, Molecular Model

Other Titles

Pharmacology Gene Sequencing Data, Pharmacology Genome Sequencing Data, Pharmacology Interaction Data for Molecular Model

NameDescriptionTypeConstraints
Target_NameThe GtP target name (for information on target nomenclature see the online help documentation)string-
Target_IdThe GtP target identifierintegerlevel : Nominal
Target_Gene_SymbolThe target gene symbolstring-
Target_UniprotThe target's UniProtKB accessionstring-
Target_Ensembl_Gene_IdA target identifier listed as an Ensembl gene ID.string-
Target_LigandThe name of a GtP ligand which in this case is actually the target of the interactionstring-
Target_Ligand_IdThe identifier of the ligand which in this case is the target of the interactionintegerlevel : Nominal
Target_Ligand_Gene_SymbolThe gene symbol of the target ligand (for peptides)string-
Target_Ligand_Ensembl_Gene_IdA target ligand identifier listed as an Ensembl gene ID.string-
Target_Ligand_UniprotThe target ligand's UniProtKB accession (if endogenous peptide)string-
Target_Ligand_Pubchem_Substance_IdThe target ligand's PubChem Substance IDstring-
Target_SpeciesThe name of the target speciesstringrequired : 1
Ligand_NameThe name of the GtP (Guanosine-5'-triphosphate) ligandstringrequired : 1
Ligand_IdThe GtP(Guanosine-5'-triphosphate) ligand identifierintegerlevel : Nominal required : 1
Ligand_Gene_SymbolThe ligand gene symbol (if endogenous peptide)string-
Ligand_SpeciesThe name of the ligand species (if peptide)string-
Ligand_Pubchem_Substance_IdThe ligand's PubChem Substance IDstring-
Interaction_TypeType of interactionstringrequired : 1
Ligand_ActionSpecific action of the ligandstringrequired : 1
Action_CommentFurther details or qualifiers for the ligand action at the targetstring-
SelectivitySelectivity whether selective, non-selective, family selective or nonestring-
Is_EndogenousTrue if the ligand is endogenous in the target organism under studybooleanrequired : 1
Is_Primary_TargetTrue if the target can be considered the primary target of the ligandboolean-
Concentration_RangeThe micromolar concentration range of ligand used in the study (primarily given when affinity data are not available)string-
Affinity_UnitsThe negative logarithm to base 10 of the experimental parameter measuredstring-
Affinity_HighIf there is a range of activity values, this would be the highest negative logarithm to base 10 valuenumberlevel : Ratio
Affinity_MedianThis is either the median or a single negative logarithm to base 10 affinity valuenumberlevel : Ratio
Affinity_LowIf there is a range of activity values, this would be the lowest negative logarithm to base 10 valuenumberlevel : Ratio
Original_Affinity_UnitsThe experimental parameter measured in the study e.g. IC50string-
Original_Affinity_Low_NmThe lowest nM activity value recorded in the studynumberlevel : Ratio
Original_Affinity_Median_NmEither the median or a single nM activity valuenumberlevel : Ratio
Original_Affinity_High_NmThe greatest nM activity value recorded in the studynumberlevel : Ratio
Original_Affinity_RelationA qualifier for the activity value, e.g. Equal, Less than or Greater thanstring-
Assay_DescriptionFurther details captured about the assaystring-
Receptor_SiteA specific binding site on the target to which the ligand bindsstring-
Ligand_ContextIf the ligand is context-dependent e.g. intracellular, this is indicatedstring-
Pubmed_IdPubMed ids for cited publicationsstring-
Target NameTarget IdTarget Gene SymbolTarget UniprotTarget Ensembl Gene IdTarget LigandTarget Ligand IdTarget Ligand Gene SymbolTarget Ligand Ensembl Gene IdTarget Ligand UniprotTarget Ligand Pubchem Substance IdTarget SpeciesLigand NameLigand IdLigand Gene SymbolLigand SpeciesLigand Pubchem Substance IdInteraction TypeLigand ActionAction CommentSelectivityIs EndogenousIs Primary TargetConcentration RangeAffinity UnitsAffinity HighAffinity MedianAffinity LowOriginal Affinity UnitsOriginal Affinity Low NmOriginal Affinity Median NmOriginal Affinity High NmOriginal Affinity RelationAssay DescriptionReceptor SiteLigand ContextPubmed Id
12S-LOX1387ALOX12P18054ENSG00000108839HumanML3558752252827410InhibitorInhibitionSelectiveFalseTruepIC506.46999979IC50340=24393039
15-LOX-11388ALOX15P16050ENSG00000161905HumanPKUMDL_MH_10019141315661226Allosteric modulatorPositiveNot DeterminedFalseFalsepKd5.409999847000001Kd3900=Determined by surface plasmon resonance (SPR)26290290
15-LOX-11388ALOX15P16050ENSG00000161905Humancompound 34 [PMID: 20866075]8751252827409InhibitorInhibitionSelectiveFalseTruepKi8.0Ki10<20866075
15-LOX-11388ALOX15P16050ENSG00000161905HumanML35110263381744944InhibitorInhibitionNot DeterminedFalseFalsepIC506.6999998089999995IC50200=24672829
15-LOX-21389ALOX15BO15296ENSG00000179593Humancompound 21n [PMID: 17656086]8750252827408InhibitorInhibitionNot DeterminedFalseFalsepIC507.2899999620000004IC5051=17656086
15-LOX-21389ALOX15BO15296ENSG00000179593HumanMLS00053692410264381744945InhibitorInhibitionNot DeterminedFalseFalsepKi5.599999905Ki2500=25111178
3-Mercaptopyruvate sulfurtransferase1446MPSTP25325ENSG00000128309HumanI3MT-310210381744892InhibitorInhibitionNot DeterminedFalseFalsepIC505.570000172IC502700=28079151
3-phosphoinositide dependent protein kinase 11519PDPK1O15530ENSG00000140992Human7-hydroxystaurosporine7907249565590InhibitorInhibitionNot DeterminedFalseTruepIC507.480000018999999IC5033=11896604
3-phosphoinositide dependent protein kinase 11519PDPK1O15530ENSG00000140992HumanBX-7958006249565686InhibitorInhibitionNot DeterminedFalseTruepIC507.9600000379999996IC5011=In a direct kinase activity measuring phosphorylation od a small peptide substrate mimetic15772071
3-phosphoinositide dependent protein kinase 11519PDPK1O15530ENSG00000140992HumanBX-9128007249565687InhibitorInhibitionNot DeterminedFalseTruepIC507.590000152999999IC5026=In a direct kinase activity measuring phosphorylation od a small peptide substrate mimetic15772071