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PubChem: chemical compounds, bioassays, targets and patents
PubChem, the U.S. National Library of Medicine's open chemistry database at NCBI, through its documented PUG REST and PUG View services: find compounds by name, synonym, brand name, CAS number, SMILES, InChI, InChIKey or molecular formula; read a compound's computed properties (formula, weights, XLogP, TPSA, hydrogen-bond counts, stereochemistry), InChI, SMILES, synonyms and cross-referenced identifiers (CAS, UNII, ChEBI, ChEMBL, DrugBank, DSSTox and more); find similar compounds, substructures and superstructures ranked by Tanimoto similarity; list a compound's bioassay results across depositors and aggregate the protein and gene targets it is active against; and list the patent publications linked to it. NCBI places no restrictions on PubChem data; cross-references are identifiers only, bioassays from depositors that restrict commercial use are excluded, and every answer carries its terms and the PubChem citation.
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const result = await firecrawl.scrape({
alexandria: {
provider: "pubchem-ncbi-nlm-nih-gov",
capability: "compounds/bioassays",
options: {
cid: 5291,
target: "P00519",
},
},
});2Response example
This is a sample shape. Press Run to see live data from PubChem: chemical compounds, bioassays, targets and patents.
{
"compound": {
"cid": 5291,
"pubchem_url": "https://pubchem.ncbi.nlm.nih.gov/compound/5291",
"title": "Imatinib"
},
"counts": {
"active": 1028,
"assays": 4661,
"inactive": 1013,
"inconclusive": 166,
"probe": 0,
"rows": 5467,
"unspecified": 3260
},
"excluded": {
"aids": [
2061329
],
"reason": "Depositor restricts commercial use: NIAID ChemDB (\"cannot be sold and is only to be used for research purposes\")",
"rows": 1
},
"filters": {
"assay_type": null,
"outcome": "active",
"target": "P00519"
},
"license": {
"attribution": "Data from PubChem, National Center for Biotechnology Information, U.S. National Library of Medicine. Cite: Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025;53(D1):D1516-D1525. doi:10.1093/nar/gkae1059",
"name": "NCBI data policy: no NCBI restrictions; depositors' terms apply",
"terms": "Bioassay results are deposited in PubChem by the depositor named on each row, whose terms apply (ChEMBL CC BY-SA 3.0, BindingDB CC BY 3.0, IUPHAR/BPS Guide to PHARMACOLOGY ODbL, NCATS and Molecular Libraries screening centres, EPA ToxCast, DTP/NCI). Assays from depositors that restrict commercial use are excluded: NIAID ChemDB (\"cannot be sold and is only to be used for research purposes\").",
"url": "https://www.ncbi.nlm.nih.gov/home/about/policies/"
},
"limit": 25,
"matched_on": "cid",
"next_offset": 25,
"observed_at_ms": 1793396964039,
"offset": 0,
"results": [
{
"activity_name": "IC50",
"activity_value_um": 0.038,
"aid": 228823,
"assay_name": "Inhibition of v-Abl tyrosine kinase.",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/228823",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": null,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "IC50",
"activity_value_um": 0.04,
"aid": 228828,
"assay_name": "Inhibition of Abl tyrosine kinase",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/228828",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 12951113,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "IC50",
"activity_value_um": 0.038,
"aid": 254706,
"assay_name": "Inhibitory concentration against v-Abl tyrosine kinase",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/254706",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 16220969,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "Kd",
"activity_value_um": 0.0022,
"aid": 256665,
"assay_name": "Average Binding Constant for ABL1; NA=Not Active at 10 uM",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/256665",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 15711537,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": null
},
{
"activity_name": "Kd",
"activity_value_um": 0.024,
"aid": 256666,
"assay_name": "Average Binding Constant for ABL1(Q252H); NA=Not Active at 10 uM",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/256666",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 15711537,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": null
},
{
"activity_name": "Kd",
"activity_value_um": 0.11,
"aid": 256667,
"assay_name": "Average Binding Constant for ABL1(E255K); NA=Not Active at 10 uM",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/256667",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 15711537,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": null
},
{
"activity_name": "Kd",
"activity_value_um": 0.062,
"aid": 256668,
"assay_name": "Average Binding Constant for ABL1(H396P); NA=Not Active at 10 uM",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/256668",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 15711537,
"sid": 103245522,
"target_accession": "P00519",
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"target_gene_id": null
},
{
"activity_name": "Kd",
"activity_value_um": 0.014,
"aid": 256669,
"assay_name": "Average Binding Constant for ABL1(M351T); NA=Not Active at 10 uM",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/256669",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 15711537,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": null
},
{
"activity_name": "Kd",
"activity_value_um": 6.2,
"aid": 256670,
"assay_name": "Average Binding Constant for ABL1(T315I); NA=Not Active at 10 uM",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/256670",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 15711537,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": null
},
{
"activity_name": "Kd",
"activity_value_um": 0.044,
"aid": 256671,
"assay_name": "Average Binding Constant for ABL1(Y253F); NA=Not Active at 10 uM",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/256671",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 15711537,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": null
},
{
"activity_name": "IC50",
"activity_value_um": 0.04,
"aid": 291752,
"assay_name": "Inhibition of c-Abl",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/291752",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 17572088,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "IC50",
"activity_value_um": 0.47,
"aid": 295287,
"assay_name": "Inhibition of human Abl kinase expressed in Sf9 cells",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/295287",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 17376680,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "Ki",
"activity_value_um": 0.013,
"aid": 317426,
"assay_name": "Inhibition of human recombinant Abl",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/317426",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 18078752,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": null
},
{
"activity_name": "IC50",
"activity_value_um": 0.11,
"aid": 343646,
"assay_name": "Inhibition of Abl",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/343646",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 18554909,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "Ki",
"activity_value_um": 0.013,
"aid": 370599,
"assay_name": "Inhibition of human recombinant Abl by filter-binding assay",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/370599",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 18342402,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "IC50",
"activity_value_um": 0.098,
"aid": 407645,
"assay_name": "Inhibition of Abl by TR-FRET assay",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/407645",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 18447379,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "IC50",
"activity_value_um": 1.1,
"aid": 414721,
"assay_name": "Inhibition of wild-type c-Abl by liquid scintillation counting",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/414721",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 19301902,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "Kd",
"activity_value_um": 0.035,
"aid": 435146,
"assay_name": "Binding constant for ABL1(H396P) kinase domain",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/435146",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 18183025,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "Kd",
"activity_value_um": 0.0085,
"aid": 435514,
"assay_name": "Binding constant for ABL1(M351T) kinase domain",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/435514",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 18183025,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "Kd",
"activity_value_um": 0.021,
"aid": 435515,
"assay_name": "Binding constant for ABL1(Q252H) kinase domain",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/435515",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 18183025,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "Kd",
"activity_value_um": 0.077,
"aid": 435644,
"assay_name": "Binding constant for ABL1(E255K) kinase domain",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/435644",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 18183025,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "Kd",
"activity_value_um": 0.012,
"aid": 435775,
"assay_name": "Binding constant for ABL1 kinase domain",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/435775",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 18183025,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
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},
{
"activity_name": "Kd",
"activity_value_um": 0.044,
"aid": 435776,
"assay_name": "Binding constant for ABL1(Y253F) kinase domain",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/435776",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 18183025,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "IC50",
"activity_value_um": 0.658,
"aid": 463625,
"assay_name": "Inhibition of wild type Abl",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/463625",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 20166671,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
},
{
"activity_name": "IC50",
"activity_value_um": 0.0011,
"aid": 463630,
"assay_name": "Inhibition of wild type Bcr-Abl",
"assay_type": "confirmatory",
"assay_url": "https://pubchem.ncbi.nlm.nih.gov/bioassay/463630",
"depositor": "ChEMBL",
"outcome": "active",
"panel_member_id": null,
"pmid": 20166671,
"sid": 103245522,
"target_accession": "P00519",
"target_accession_type": "uniprot",
"target_gene_id": 25
}
],
"total": 195
}Data from PubChem, National Center for Biotechnology Information, U.S. National Library of Medicine. NCBI places no restrictions on its use; depositors' terms apply to their records. Cite Kim S et al., PubChem 2025 update, Nucleic Acids Res. 2025;53(D1):D1516-D1525. (https://pubchem.ncbi.nlm.nih.gov/docs/programmatic-access)
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