BDBM17348 (3R,6S,9aS)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydroazepino[2,1-b][1,3]thiazole-3-carboxamide::peptide isostere, 11
SMILES: [H][C@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@@H](CS2)C(=O)Nc1cc(C)nn1-c1ccccc1
InChI Key: InChIKey=YYBUDMKKCZIZQP-CAIZAGQASA-N
Data: 2 KI
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)) | BDBM17348 ((3R,6S,9aS)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.00E+3 | -7.45 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Complex of Baculoviral IAP repeat-containing protein 7 [1-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human)) | BDBM17348 ((3R,6S,9aS)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.19E+3 | -7.26 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |