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BDBM50070114 (+/-)-thalidomide::2-(2,6-Dioxo-piperidin-3-yl)-isoindole-1,3-dione::2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione::CHEMBL468::K-17::THALIDOMIDE::Thalomid::US11059801, Compound D-62::[(R,S)-2-(2,6-dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione
SMILES: O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12
InChI Key: InChIKey=UEJJHQNACJXSKW-UHFFFAOYSA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| DNA damage-binding protein 1 (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | 8.0 | 70 |
Celgene | Assay Description Thermal stabilities of CRBN-DDB1 in the presence or absence of phthalimide, thalidomide, lenalidomide and pomalidomide were done in the presence of S... | Leukemia 26: 2326-35 (2012) Article DOI: 10.1038/leu.2012.119 BindingDB Entry DOI: 10.7270/Q26971RH | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| Glyceraldehyde-3-phosphate dehydrogenase, cytosolic (Leishmania mexicana) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | 37 |
Celgene Corporation US Patent | Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p... | US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Interleukin-1 beta (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | 37 |
Celgene Corporation US Patent | Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p... | US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Granulocyte-macrophage colony-stimulating factor (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | 37 |
Celgene Corporation US Patent | Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p... | US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Mediator of DNA damage checkpoint protein 1 (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | 37 |
Celgene Corporation US Patent | Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p... | US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| C-C motif chemokine 3 (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | 37 |
Celgene Corporation US Patent | Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p... | US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| C-C motif chemokine 4 (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | 37 |
Celgene Corporation US Patent | Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p... | US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Tumor necrosis factor (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | DrugBank US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | 37 |
Celgene Corporation US Patent | Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p... | US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostaglandin G/H synthase 1 (Ovis aries (Sheep)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin | Bioorg Med Chem Lett 12: 1043-6 (2002) Article DOI: 10.1016/s0960-894x(02)00084-7 BindingDB Entry DOI: 10.7270/Q28K78D9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostaglandin G/H synthase 2 (Ovis aries (Sheep)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin | Bioorg Med Chem Lett 12: 1043-6 (2002) Article DOI: 10.1016/s0960-894x(02)00084-7 BindingDB Entry DOI: 10.7270/Q28K78D9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cereblon isoform 4 (Magnetospirillum gryphiswaldense) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute for Developmental Biology Curated by ChEMBL | Assay Description Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 by FRET assay | J Med Chem 59: 770-4 (2016) Article DOI: 10.1021/acs.jmedchem.5b01735 BindingDB Entry DOI: 10.7270/Q2PR7XVF | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Protein cereblon (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 2.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute for Developmental Biology Curated by ChEMBL | Assay Description Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by FRET assay | J Med Chem 59: 770-4 (2016) Article DOI: 10.1021/acs.jmedchem.5b01735 BindingDB Entry DOI: 10.7270/Q2PR7XVF | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Cereblon isoform 4 (Magnetospirillum gryphiswaldense) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute for Developmental Biology Curated by ChEMBL | Assay Description Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 by Cheng-Prusoff equation analysis | J Med Chem 59: 770-4 (2016) Article DOI: 10.1021/acs.jmedchem.5b01735 BindingDB Entry DOI: 10.7270/Q2PR7XVF | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Protein cereblon (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute for Developmental Biology Curated by ChEMBL | Assay Description Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by Cheng-Prusoff equation analysis | J Med Chem 59: 770-4 (2016) Article DOI: 10.1021/acs.jmedchem.5b01735 BindingDB Entry DOI: 10.7270/Q2PR7XVF | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Phosphodiesterase 4 (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation Curated by ChEMBL | Assay Description Inhibition of PDE4 enzyme from U937 cells | Bioorg Med Chem Lett 8: 2669-74 (1998) Article DOI: 10.1016/s0960-894x(98)00475-2 BindingDB Entry DOI: 10.7270/Q2BK1FJH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bile salt export pump (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cereblon isoform 4 (Magnetospirillum gryphiswaldense) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute for Developmental Biology Curated by ChEMBL | Assay Description Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense CRBN isoform 4 by FRET assay | J Med Chem 62: 6615-6629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00454 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Protein cereblon (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 2.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute for Developmental Biology Curated by ChEMBL | Assay Description Binding affinity to human CRBN-thalidomide binding domain expressed in Escherichia coli by measuring baseline corrected normalized fluorescence in pr... | ACS Med Chem Lett 12: 74-81 (2021) | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Protein cereblon (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | 8.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute for Developmental Biology Curated by ChEMBL | Assay Description Binding affinity to human CRBN-thalidomide binding domain expressed in Escherichia coli by measuring baseline corrected normalized fluorescence in pr... | ACS Med Chem Lett 12: 74-81 (2021) | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| CRBN-DDB1 (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 301 | n/a | n/a | n/a | n/a | n/a | n/a |
DANA-FARBER CANCER INSTITUTE, INC. US Patent | Assay Description A thalidomide competition AlphaScreen assay was employed to measure the binding affinity (IC50) of thalidomide conjugates and novel IMiDs to CRBN-DDB... | US Patent US11059801 (2021) | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| CRBN-DDB1 (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 268 | n/a | n/a | n/a | n/a | n/a | n/a |
DANA-FARBER CANCER INSTITUTE, INC. US Patent | Assay Description A thalidomide competition AlphaScreen assay was employed to measure the binding affinity (IC50) of thalidomide conjugates and novel IMiDs to CRBN-DDB... | US Patent US11059801 (2021) | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Interleukin-6 (Homo sapiens (Human)) | BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | 37 |
Celgene Corporation US Patent | Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p... | US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
