BDBM144638 US8952036, Ex. 3

SMILES C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)CC(=O)Nc5ccc(c(c5)OC)C(=O)O

InChI Key InChIKey=QGOICCMBEDDFCI-UHFFFAOYSA-N

Data  2 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 144638   

TargetCytochrome P450 3A4(Human)
Amgen

US Patent
LigandPNGBDBM144638(US8952036, Ex. 3)
Affinity DataIC50: 0.330nMpH: 7.4 T: 2°CAssay Description:The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/29/2015
Entry Details
Go to US Patent

TargetE3 ubiquitin-protein ligase Mdm2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM144638(US8952036, Ex. 3)
Affinity DataIC50: 0.600nMAssay Description:Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetE3 ubiquitin-protein ligase Mdm2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM144638(US8952036, Ex. 3)
Affinity DataKd:  0.257nMAssay Description:Binding affinity to human MDM2 by by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)