Search and Browse
Download
Enter Data
BDBM50229786 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID::5-[2,3-Dichloro-4-(5-{1-[2-((R)-2-guanidino-4-methyl-1-oxo-pentylamino)-acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-phenoxymethyl]-furan-2-carboxylic acid::5-[2,3-Dichloro-4-(5-{1-[2-((R)-2-guanidino-4-methyl-pentanoylamino)-acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-phenoxymethyl]-furan-2-carboxylic acid::CHEMBL429852::SP-4206
SMILES: [#6]-[#6](-[#6])-[#6]-[#6](\[#7+]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1cc(nn1-[#6])-c1ccc(-[#8]-[#6]-c2ccc(o2)-[#6](-[#8-])=O)c(Cl)c1Cl
InChI Key: InChIKey=VNZHOIDQBPFEJU-UHFFFAOYSA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Interleukin-2 (IL-2) (Homo sapiens (Human)) | BDBM50229786 (5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-P...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco Curated by ChEMBL | Assay Description Binding affinity to IL2 assessed as inhibition of IL2-IL2Ralpha interaction | Nature 450: 1001-1009 (2007) Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Interleukin-2 (Homo sapiens (Human)) | BDBM50229786 (5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-P...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to IL2 (unknown origin) assessed as inhibition of binding to IL2 receptor alpha | Citation and Details Article DOI: 10.1007/s00044-013-0564-x BindingDB Entry DOI: 10.7270/Q20V8GP1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Interleukin-2 receptor alpha chain (Mus musculus) | BDBM50229786 (5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-P...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Concentration required to inhibit mouse interleukin-2 alpha receptor was determined by SPA assay | J Med Chem 47: 3111-30 (2004) Article DOI: 10.1021/jm049967u BindingDB Entry DOI: 10.7270/Q2TQ6280 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Interleukin-2 receptor alpha chain (Mus musculus) | BDBM50229786 (5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-P...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Effective concentration required against phosphorylation of Mammary gland factor/STAT5 | J Med Chem 47: 3111-30 (2004) Article DOI: 10.1021/jm049967u BindingDB Entry DOI: 10.7270/Q2TQ6280 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
