BDBM17343 (2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{1-[(3S)-3-[(2S)-2-aminopropanamido]-2-oxoazepan-1-yl]acetamido}-3-methylpentanamido]propanamido]pentanediamido]hexanamido]-3-hydroxypropanamido]pentanedioic acid::Smac-derived compound, 2
SMILES: CCC(C)[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Key: InChIKey=IERYRAUCKGJTSH-SDKDHMQSSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ML-IAP-BIR (Homo sapiens (Human)) | BDBM17343 ((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...) | PDB MMDB B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 1.53E+4 | -6.50 | 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 | |||||||||||||
XIAP-BIR3 (Homo sapiens (Human)) | BDBM17343 ((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 3.98E+4 | -5.94 | 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 |