BDBM50401480 CHEMBL2204571
SMILES: CN[C@@H](C)C(=O)N[C@@H]([C@H](C)OCC#CC#CCO[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1)C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1
InChI Key: InChIKey=CDUYVSXKBIKUNH-HVFHUQRBSA-N
Data: 3 IC50
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)) | BDBM50401480 (CHEMBL2204571) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL | Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay | Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human)) | BDBM50401480 (CHEMBL2204571) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL | Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay | Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50401480 (CHEMBL2204571) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 80.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL | Assay Description Displacement of FITC-Smac from human His-tagged XIAP BIR3 domain (241 to 356 residues) after 3 hrs by fluorescent polarization assay | Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z | |||||||||||
More data for this Ligand-Target Pair |