BDBM50441338 CHEMBL2431751::US9394263, 2
SMILES: CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)c2ccccc2OC11CCOCC1
InChI Key: InChIKey=PXBQMHIHZVFKSD-HFJWLAOPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human)) | BDBM50441338 (CHEMBL2431751 | US9394263, 2) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
F. HOFFMANN-LA ROCHE AG US Patent | Assay Description Ten nanomolar of 6x Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ... | US Patent US9394263 (2016) BindingDB Entry DOI: 10.7270/Q2X92968 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human)) | BDBM50441338 (CHEMBL2431751 | US9394263, 2) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. Curated by ChEMBL | Assay Description Inhibition of His-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 1 hr by TR-FRET assay | J Med Chem 56: 7772-87 (2013) Article DOI: 10.1021/jm400731m BindingDB Entry DOI: 10.7270/Q2CR5VS5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human)) | BDBM50441338 (CHEMBL2431751 | US9394263, 2) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. Curated by ChEMBL | Assay Description Inhibition of His-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 1 hr by TR-FRET assay | J Med Chem 56: 7772-87 (2013) Article DOI: 10.1021/jm400731m BindingDB Entry DOI: 10.7270/Q2CR5VS5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |