Pharmacology Interaction Data for Targets and Ligands
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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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