Others titles
- Pharmacology Gene Sequencing Data
- Pharmacology Genome Sequencing Data
- Pharmacology Interaction Data for Molecular Model
Keywords
- Gene Sequencing
- Genome Sequencing
- DNA Sequencing
- Molecular Model
Pharmacology Interaction Data for Targets and Ligands
![Pharmacology Interaction Data for Targets and Ligands](https://www.johnsnowlabs.com/wp-content/uploads/2018/09/normal/Gene-Products-and-Targets.png)
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).
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Description
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.
About this Dataset
Data Info
Date Created | 2011 |
---|---|
Last Modified | 2023-08-07 |
Version | 2023.2 |
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 |
N/A |
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 |
Data Fields
Name | Description | Type | Constraints |
---|---|---|---|
Target_Name | The GtP target name (for information on target nomenclature see the online help documentation) | string | - |
Target_Id | The GtP target identifier | integer | level : Nominal |
Target_Gene_Symbol | The target gene symbol | string | - |
Target_Uniprot | The target's UniProtKB accession | string | - |
Target_Ensembl_Gene_Id | A target identifier listed as an Ensembl gene ID. | string | - |
Target_Ligand | The name of a GtP ligand which in this case is actually the target of the interaction | string | - |
Target_Ligand_Id | The identifier of the ligand which in this case is the target of the interaction | integer | level : Nominal |
Target_Ligand_Gene_Symbol | The gene symbol of the target ligand (for peptides) | string | - |
Target_Ligand_Ensembl_Gene_Id | A target ligand identifier listed as an Ensembl gene ID. | string | - |
Target_Ligand_Uniprot | The target ligand's UniProtKB accession (if endogenous peptide) | string | - |
Target_Ligand_Pubchem_Substance_Id | The target ligand's PubChem Substance ID | string | - |
Target_Species | The name of the target species | string | required : 1 |
Ligand_Name | The name of the GtP (Guanosine-5'-triphosphate) ligand | string | required : 1 |
Ligand_Id | The GtP(Guanosine-5'-triphosphate) ligand identifier | string | - |
Ligand_Gene_Symbol | The ligand gene symbol (if endogenous peptide) | string | - |
Ligand_Species | The name of the ligand species (if peptide) | string | - |
Ligand_Pubchem_Substance_Id | The ligand's PubChem Substance ID | string | - |
Is_Approved_Drug | The drug is or has in the past been approved for human clinical use by a regulatory agency. | boolean | - |
Interaction_Type | Type of interaction | string | required : 1 |
Ligand_Action | Specific action of the ligand | string | required : 1 |
Action_Comment | Further details or qualifiers for the ligand action at the target | string | - |
Selectivity | Selectivity whether selective, non-selective, family selective or none | string | - |
Is_Endogenous | True if the ligand is endogenous in the target organism under study | boolean | required : 1 |
Is_Primary_Target | True if the target can be considered the primary target of the ligand | boolean | - |
Concentration_Range | The micromolar concentration range of ligand used in the study (primarily given when affinity data are not available) | string | - |
Affinity_Units | The negative logarithm to base 10 of the experimental parameter measured | string | - |
Affinity_High | If there is a range of activity values, this would be the highest negative logarithm to base 10 value | number | level : Ratio |
Affinity_Median | This is either the median or a single negative logarithm to base 10 affinity value | number | level : Ratio |
Affinity_Low | If there is a range of activity values, this would be the lowest negative logarithm to base 10 value | number | level : Ratio |
Original_Affinity_Units | The experimental parameter measured in the study e.g. IC50 | string | - |
Original_Affinity_Low_Nm | The lowest nM activity value recorded in the study | number | level : Ratio |
Original_Affinity_Median_Nm | Either the median or a single nM activity value | number | level : Ratio |
Original_Affinity_High_Nm | The greatest nM activity value recorded in the study | number | level : Ratio |
Original_Affinity_Relation | A qualifier for the activity value, e.g. Equal, Less than or Greater than | string | - |
Assay_Description | Further details captured about the assay | string | - |
Receptor_Site | A specific binding site on the target to which the ligand binds | string | - |
Ligand_Context | If the ligand is context-dependent e.g. intracellular, this is indicated | string | - |
Pubmed_Id | PubMed ids for cited publications | string | - |
Data Preview
Target Name | Target Id | Target Gene Symbol | Target Uniprot | Target Ensembl Gene Id | Target Ligand | Target Ligand Id | Target Ligand Gene Symbol | Target Ligand Ensembl Gene Id | Target Ligand Uniprot | Target Ligand Pubchem Substance Id | Target Species | Ligand Name | Ligand Id | Ligand Gene Symbol | Ligand Species | Ligand Pubchem Substance Id | Is Approved Drug | Interaction Type | Ligand Action | Action Comment | Selectivity | Is Endogenous | Is Primary Target | Concentration Range | Affinity Units | Affinity High | Affinity Median | Affinity Low | Original Affinity Units | Original Affinity Low Nm | Original Affinity Median Nm | Original Affinity High Nm | Original Affinity Relation | Assay Description | Receptor Site | Ligand Context | Pubmed Id |
12S-LOX | 1387 | ALOX12 | P18054 | ENSG00000108839 | Human | ML355 | 8752 | 252827410 | False | Inhibitor | Inhibition | Selective | False | True | pIC50 | 6.46999979 | IC50 | 340.0 | = | 24393039 | |||||||||||||||||
15-LOX-1 | 1388 | ALOX15 | P16050 | ENSG00000161905 | Human | PKUMDL_MH_1001 | 9141 | 315661226 | False | Allosteric modulator | Positive | Not Determined | False | False | pKd | 5.409999847000001 | Kd | 3900.0 | = | Determined by surface plasmon resonance (SPR) | 26290290 | ||||||||||||||||
15-LOX-1 | 1388 | ALOX15 | P16050 | ENSG00000161905 | Human | compound 34 [PMID: 20866075] | 8751 | 252827409 | False | Inhibitor | Inhibition | Selective | False | True | pKi | 8.0 | Ki | 10.0 | < | 20866075 | |||||||||||||||||
15-LOX-1 | 1388 | ALOX15 | P16050 | ENSG00000161905 | Human | ML351 | 10263 | 381744944 | False | Inhibitor | Inhibition | Not Determined | False | False | pIC50 | 6.6999998089999995 | IC50 | 200.0 | = | 24672829 | |||||||||||||||||
15-LOX-1 | 1388 | ALOX15 | P16050 | ENSG00000161905 | Human | PD-146176 | 11390 | 440816759 | False | Inhibitor | Inhibition | Not Determined | False | False | pKi | 6.6999998089999995 | - | = | 9105693 | ||||||||||||||||||
15-LOX-2 | 1389 | ALOX15B | O15296 | ENSG00000179593 | Human | compound 21n [PMID: 17656086] | 8750 | 252827408 | False | Inhibitor | Inhibition | Not Determined | False | False | pIC50 | 7.2899999620000004 | IC50 | 51.0 | = | 17656086 | |||||||||||||||||
15-LOX-2 | 1389 | ALOX15B | O15296 | ENSG00000179593 | Human | MLS000536924 | 10264 | 381744945 | False | Inhibitor | Inhibition | Not Determined | False | False | pKi | 5.599999905 | Ki | 2500.0 | = | 25111178 | |||||||||||||||||
3-Mercaptopyruvate sulfurtransferase | 1446 | MPST | P25325 | ENSG00000128309 | Human | I3MT-3 | 10210 | 381744892 | False | Inhibitor | Inhibition | Not Determined | False | False | pIC50 | 5.570000172 | IC50 | 2700.0 | = | 28079151 | |||||||||||||||||
3-phosphoinositide dependent protein kinase 1 | 1519 | PDPK1 | O15530 | ENSG00000140992 | Human | 7-hydroxystaurosporine | 7907 | 249565590 | False | Inhibitor | Inhibition | Not Determined | False | True | pIC50 | 7.480000018999999 | IC50 | 33.0 | = | 11896604 | |||||||||||||||||
3-phosphoinositide dependent protein kinase 1 | 1519 | PDPK1 | O15530 | ENSG00000140992 | Human | BX-795 | 8006 | 249565686 | False | Inhibitor | Inhibition | Not Determined | False | True | pIC50 | 7.9600000379999996 | IC50 | 11.0 | = | In a direct kinase activity measuring phosphorylation od a small peptide substrate mimetic | 15772071 |