| Database | ChEMBL |
| SPARQl endpoint | https://chemblmirror.rdf.bigcat-bioinformatics.org/sparql |
| License | CC-BY-SA 3.0 Unported |
Code examples: curl
PREFIX chembl: <http://rdf.ebi.ac.uk/terms/chembl#>
PREFIX cco: <http://rdf.ebi.ac.uk/terms/chembl#>
PREFIX chembl_molecule: <http://rdf.ebi.ac.uk/resource/chembl/molecule/>
PREFIX chembl_target: <http://rdf.ebi.ac.uk/resource/chembl/target/>
SELECT distinct ?assayLabel ?assayType ?molLabel ?bindingAffinityType ?value WHERE {
?assay chembl:hasTarget chembl_target:CHEMBL204.
?activity chembl:hasAssay ?assay.
?assay cco:assayType ?assayType.
?activity chembl:hasMolecule ?molecule .
chembl_target:CHEMBL204 rdfs:label ?targetLabel.
?molecule rdfs:label ?molLabel.
?assay rdfs:label ?assayLabel.
VALUES ?bindingAffinityType {"Kd" "Ki" "IC50"}
?activity chembl:type ?bindingAffinityType.
?activity chembl:standardValue ?value.
} limit 100
| assayType | bindingAffinityType | value |
| Binding | Ki | 60.0 |
| Binding | Ki | 1365.0 |
| Binding | Ki | 940.0 |
| Binding | Ki | 6.2 |
| Binding | Ki | 220.0 |
| Binding | Ki | 202.0 |
| Binding | Ki | 136.0 |
| Binding | Ki | 107.0 |
| Binding | Ki | 153.0 |
| Binding | Ki | 21.0 |
| Binding | Ki | 185.0 |
| Binding | Ki | 895.0 |
| Binding | Ki | 330.0 |
| Binding | Ki | 213.0 |
| Binding | Ki | 75000.0 |
| Binding | Ki | 3200.0 |
| Binding | Ki | 2000.0 |
| Binding | Ki | 195.0 |
| Binding | Ki | 18.0 |
| Binding | Ki | 213.0 |
| Binding | Ki | 348.0 |
| Binding | Ki | 123.0 |
| Binding | Ki | 180.0 |
| Binding | Ki | 212.0 |
| Binding | Ki | 266.0 |
| Binding | Ki | 197.0 |
| Binding | Ki | 96.0 |
| Binding | Ki | 103.0 |
| Binding | Ki | 43.0 |
| Binding | Ki | 0.8 |
| Binding | Ki | 0.8 |
| Binding | Ki | 152.0 |
| Binding | Ki | 5.2 |
| Binding | Ki | 5600.0 |
| Binding | Ki | 240.0 |
| Binding | Ki | 1600.0 |
| Binding | Ki | 360.0 |
| Binding | Ki | 225.0 |
| Binding | Ki | 280.0 |
| Binding | Ki | 10000.0 |
| Binding | Ki | 8000.0 |
| Binding | Ki | 13.0 |
| Binding | Ki | 320.0 |
| Binding | Ki | 189.0 |
| Binding | Ki | 132.0 |
| Binding | Ki | 219.0 |
| Binding | Ki | 112.0 |
| Binding | Ki | 227.0 |
| Binding | Ki | 2.4 |
| Binding | Ki | 138.0 |
| Binding | Ki | 125.0 |
| Binding | Ki | 97.0 |
| Binding | Ki | 104.0 |
| Binding | Ki | 147.0 |
| Binding | Ki | 18.0 |
| Binding | Ki | 2000.0 |
| Binding | Ki | 121.0 |
| Binding | Ki | 99.0 |
| Binding | Ki | 106.0 |
| Binding | Ki | 450.0 |
| Binding | Ki | 325.0 |
| Binding | Ki | 265.0 |
| Binding | Ki | 240.0 |
| Binding | Ki | 300.0 |
| Binding | IC50 | 660.0 |
| Binding | IC50 | 280.0 |
| Binding | IC50 | 10000.0 |
| Binding | IC50 | 1400.0 |
| Binding | IC50 | 20000.0 |
| Binding | IC50 | 160.0 |
| Binding | IC50 | 33000.0 |
| Binding | IC50 | 137.5 |
| Binding | IC50 | 2.32 |
| Binding | IC50 | 120.0 |
| Binding | IC50 | 141.0 |
| Binding | IC50 | 100000.0 |
| Binding | IC50 | 100000.0 |
| Binding | IC50 | 687.0 |
| Binding | IC50 | 910.0 |
| Binding | IC50 | 4000.0 |
| Binding | IC50 | 3200.0 |
| Binding | IC50 | 660.0 |
| Binding | IC50 | 30500.0 |
| Binding | IC50 | 20200.0 |
| Binding | IC50 | 0.8 |
| Binding | IC50 | 2000.0 |
| Binding | IC50 | 380.0 |
| Binding | IC50 | 16.0 |
| Binding | IC50 | 170.0 |
| Binding | IC50 | 5000.0 |
| Binding | IC50 | 18.0 |
| Binding | IC50 | 1230.0 |
| Binding | IC50 | 12000.0 |
| Binding | IC50 | 350.0 |
| Binding | IC50 | 10000.0 |
| Binding | IC50 | 13000.0 |
| Binding | IC50 | 3000.0 |
| Binding | IC50 | 390.0 |
| Binding | IC50 | 10000.0 |
| Binding | IC50 | 130.0 |
curl -o bindingAffinities.rq https://raw.githubusercontent.com/BiGCAT-UM/PRA3006-SPARQL/master/sparql/bindingAffinities.rq
curl -H "Accept: text/tab-separated-values" -G https://chemblmirror.rdf.bigcat-bioinformatics.org/sparql --data-urlencode query@bindingAffinities.rq
This SPARQL query is available under CCZero.