BDBM17345 (3R,6S,9aR)-2,2-dimethyl-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, 8

SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@H](C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2

InChI Key InChIKey=RBLGKKZTMVKMNE-XIGKFDRGSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 17345   

LigandPNGBDBM17345((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)
Affinity DataKi:  50nM ΔG°:  -9.85kcal/molepH: 7.2 T: 2°CAssay Description:Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...More data for this Ligand-Target Pair
TargetBaculoviral IAP repeat-containing protein 2 [266-354](Homo sapiens (Human))
Genentech

LigandPNGBDBM17345((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)
Affinity DataKi:  50nM ΔG°:  -9.85kcal/molepH: 7.2 T: 2°CAssay Description:Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 3 [252-340](Homo sapiens (Human))
Genentech

LigandPNGBDBM17345((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)
Affinity DataKi:  130nM ΔG°:  -9.29kcal/molepH: 7.2 T: 2°CAssay Description:Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP [241-356](Homo sapiens (Human))
Genentech

LigandPNGBDBM17345((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)
Affinity DataKi:  770nM ΔG°:  -8.25kcal/molepH: 7.2 T: 2°CAssay Description:Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed