BDBM26206 (2R,5S,8S)-N-(diphenylmethyl)-8-[(2S)-2-(methylamino)propanamido]-7-oxo-6-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),11,13-triene-5-carboxamide::Smac mimetic, 5

SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1

InChI Key InChIKey=DKSXMHRSKSOZAT-MPPVSAIVSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 26206   

TargetBaculoviral IAP repeat-containing protein 2 [253-363](Homo sapiens (Human))
Shanghai Institute Of Organic Chemistry

LigandPNGBDBM26206((2R,5S,8S)-N-(diphenylmethyl)-8-[(2S)-2-(methylami...)
Affinity DataKi:  3nM ΔG°:  -11.5kcal/molepH: 7.5 T: 2°CAssay Description:Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 3 [238-349](Homo sapiens (Human))
Shanghai Institute Of Organic Chemistry

LigandPNGBDBM26206((2R,5S,8S)-N-(diphenylmethyl)-8-[(2S)-2-(methylami...)
Affinity DataKi:  5.90nM ΔG°:  -11.1kcal/molepH: 7.5 T: 2°CAssay Description:Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP [241-356](Homo sapiens (Human))
Shanghai Institute Of Organic Chemistry

LigandPNGBDBM26206((2R,5S,8S)-N-(diphenylmethyl)-8-[(2S)-2-(methylami...)
Affinity DataKi:  30nM ΔG°:  -10.2kcal/molepH: 7.5 T: 2°CAssay Description:Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed