BDBM13151 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide::Smac peptido-mimetic 6i
SMILES: CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
InChI Key: InChIKey=WKJJKOCFFPMSNU-NYVOZVTQSA-N
Data: 3 KI
PDB links: 4 PDB IDs contain this monomer as substructures. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
XIAP-BIR3 (Homo sapiens (Human)) | BDBM13151 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 28 | -10.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
University of Michigan | Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ... | Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM13151 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay | Bioorg Med Chem Lett 21: 4332-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.049 BindingDB Entry DOI: 10.7270/Q2S46SBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM13151 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay | Bioorg Med Chem Lett 21: 4332-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.049 BindingDB Entry DOI: 10.7270/Q2S46SBD | |||||||||||
More data for this Ligand-Target Pair |