BDBM50441816 CHEMBL2436208::US10053431, 41
SMILES: CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
InChI Key: InChIKey=BXNIMYHZUMCTGM-FNZWTVRRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50441816 (CHEMBL2436208 | US10053431, 41) | 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 | 2.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. Curated by ChEMBL | Assay Description Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 45 mins by T... | J Med Chem 56: 7788-803 (2013) Article DOI: 10.1021/jm400732v BindingDB Entry DOI: 10.7270/Q2M32X6V | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
BIR3 (aa 241-356) (Homo sapiens (Human)) | BDBM50441816 (CHEMBL2436208 | US10053431, 41) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 2.45E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Hoffmann-La Roche Inc. US Patent | Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ... | US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BIR2 (aa 124-240) (Homo sapiens (Human)) | BDBM50441816 (CHEMBL2436208 | US10053431, 41) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 6 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Hoffmann-La Roche Inc. US Patent | Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ... | US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50441816 (CHEMBL2436208 | US10053431, 41) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. Curated by ChEMBL | Assay Description Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T... | J Med Chem 56: 7788-803 (2013) Article DOI: 10.1021/jm400732v BindingDB Entry DOI: 10.7270/Q2M32X6V | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |