| 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 | 5000.0 |
| Binding | Ki | 29.8 |
| Binding | IC50 | 3100.0 |
| Binding | IC50 | 0.505 |
| Binding | IC50 | 200.0 |
| Binding | Ki | 8100.0 |
| Binding | Ki | 6500.0 |
| Binding | Ki | 24.0 |
| Binding | Ki | 2.4 |
| Binding | Ki | 21000.0 |
| Binding | Ki | 300.0 |
| Binding | IC50 | 75.0 |
| Binding | Ki | 0.00087 |
| Binding | IC50 | 3000.0 |
| Binding | Ki | 0.19 |
| Binding | IC50 | 1000.0 |
| Binding | IC50 | 930.0 |
| Binding | IC50 | 10000.0 |
| Binding | Ki | 55.0 |
| Binding | Ki | 3.0 |
| Binding | IC50 | 10000.0 |
| Binding | Ki | 150.0 |
| Binding | Ki | 147.0 |
| Binding | Ki | 450000.0 |
| Binding | IC50 | 310.0 |
| Binding | Ki | 4000.0 |
| Binding | Ki | 245000.0 |
| Binding | IC50 | 260.0 |
| Binding | IC50 | 11000.0 |
| Binding | Ki | 480.0 |
| Binding | IC50 | 1000.0 |
| Binding | Ki | 3950.0 |
| Binding | Ki | 1e+06 |
| Functional | IC50 | 18200.0 |
| Binding | Ki | 65.0 |
| Binding | Ki | 5000.0 |
| Binding | Ki | 2.1 |
| Binding | Ki | 8000.0 |
| Binding | Ki | 193.0 |
| Binding | Ki | 230.0 |
| Binding | Ki | 3600.0 |
| Binding | Ki | 21000.0 |
| Binding | Ki | 2.4 |
| Binding | IC50 | 2500.0 |
| Binding | Ki | 85.0 |
| Binding | Ki | 110.0 |
| Binding | Ki | 650.0 |
| Binding | IC50 | 39000.0 |
| Binding | Ki | 4000.0 |
| Binding | Ki | 170.0 |
| Binding | IC50 | 16.0 |
| Binding | IC50 | 10000.0 |
| Binding | Ki | 0.75 |
| Binding | Ki | 96.0 |
| Binding | Ki | 1e+06 |
| Binding | IC50 | 669.0 |
| Binding | Ki | 5800.0 |
| Binding | IC50 | 19900.0 |
| Binding | Ki | 900.0 |
| Binding | Ki | 18.0 |
| Binding | Ki | 1100.0 |
| Binding | Ki | 11000.0 |
| Binding | Ki | 1.5 |
| Binding | IC50 | 1000.0 |
| Binding | IC50 | 10000.0 |
| Binding | Ki | 7000.0 |
| Binding | Ki | 580.0 |
| Binding | IC50 | 440.0 |
| Binding | IC50 | 100000.0 |
| Binding | Ki | 8871.0 |
| Binding | Ki | 3300.0 |
| Binding | IC50 | 220.0 |
| Binding | Ki | 0.96 |
| Binding | Ki | 56.0 |
| Binding | IC50 | 101.0 |
| Binding | Ki | 0.07 |
| Binding | Ki | 5000.0 |
| Binding | IC50 | 1410.0 |
| Binding | Ki | 540000.0 |
| Binding | Ki | 300.87 |
| Binding | IC50 | 3000.0 |
| Binding | IC50 | 33000.0 |
| Binding | Ki | 5300.0 |
| Binding | Ki | 6300.0 |
| Binding | Ki | 260.0 |
| Binding | IC50 | 48.0 |
| Binding | Ki | 9.6 |
| Binding | Ki | 2.0 |
| Binding | Ki | 74.0 |
| Binding | IC50 | 44.2 |
| Binding | Ki | 200.0 |
| Binding | Ki | 22.0 |
| Binding | Ki | 300.0 |
| Binding | IC50 | 420.0 |
| Binding | Ki | 0.04 |
| Binding | Ki | 450000.0 |
| Binding | IC50 | 2500.0 |
| Binding | IC50 | 3.153e+06 |
| Binding | IC50 | 1.5 |
| Binding | Ki | 4.0 |
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.