BDBM345189 ((S)-7-((4-(((3S,5S)-1-((S)-3,3- Dimethyl-2-((S)-2-(methylamino) propanamido)butanoyl)-5-(((R)- 1,2,3,4-tetrahydronaphthalen-1- yl)carbamoyl)pyrrolidin-3- yl)carbamoyl)benzyl)oxy)-2-((S)- 2-((S)-2-(ethylamino) propanamido)-3,3- dimethylbutanoyl)-N-((R)-1,2,3,4- tetrahydronaphthalen-1-yl)- 1,2,3,4-tetrahydroisoquinoline-3- carboxamide::US9783573, Example 39

SMILES CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCc3ccc(cc3)C(=O)NC3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)ccc2C[C@H]1C(=O)NC1CCCc2ccccc12)C(C)(C)C

InChI Key InChIKey=VPAMYSJLSKIUHI-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345189   

LigandPNGBDBM345189(((S)-7-((4-(((3S,5S)-1-((S)-3,3- Dimethyl-2-((S)-2...)
Affinity DataIC50: 89nMAssay Description:Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2019
Entry Details
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LigandPNGBDBM345189(((S)-7-((4-(((3S,5S)-1-((S)-3,3- Dimethyl-2-((S)-2...)
Affinity DataIC50: 65nMAssay Description:Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2019
Entry Details
Go to US Patent