null
SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C
InChI Key: InChIKey=ZNXRDQOMLFCSOT-PQRBCLMOSA-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 [124-240] (Homo sapiens (Human)) | BDBM249175![]() (US9453048, 17) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.44 | n/a | n/a | n/a | n/a | n/a | 25 |
Bristol-Myers Squibb Company US Patent | Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi... | US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human)) | BDBM249175![]() (US9453048, 17) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | 25 |
Bristol-Myers Squibb Company US Patent | Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,... | US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5 | |||||||||||
More data for this Ligand-Target Pair |