BDBM26208 (2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),11,13-triene-5-carboxamide::Smac mimetic, 7
SMILES: CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCc2ccccc12
InChI Key: InChIKey=YKDUDNBQXZHFLC-JRCPAZTJSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
cIAP-1 BIR3 (Homo sapiens (Human)) | BDBM26208 ((2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-o...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 150 | -9.21 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Shanghai Institute of Organic Chemistry | Assay Description Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri... | J Med Chem 51: 7352-5 (2008) Article DOI: 10.1021/jm801146d BindingDB Entry DOI: 10.7270/Q2HQ3X7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cIAP-2 BIR3 (Homo sapiens (Human)) | BDBM26208 ((2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-o...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 370 | -8.68 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Shanghai Institute of Organic Chemistry | Assay Description Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri... | J Med Chem 51: 7352-5 (2008) Article DOI: 10.1021/jm801146d BindingDB Entry DOI: 10.7270/Q2HQ3X7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
XIAP-BIR3 (Homo sapiens (Human)) | BDBM26208 ((2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-o...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.20E+3 | -7.99 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Shanghai Institute of Organic Chemistry | Assay Description Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri... | J Med Chem 51: 7352-5 (2008) Article DOI: 10.1021/jm801146d BindingDB Entry DOI: 10.7270/Q2HQ3X7Z | |||||||||||
More data for this Ligand-Target Pair |