BDBM144638 US8952036, Ex. 3

SMILES COc1cc(NC(=O)C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)c(F)c2)c2cccc(Cl)c2)ccc1C(O)=O

InChI Key InChIKey=QGOICCMBEDDFCI-NXQGQTBASA-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(Homo sapiens (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 DepthDetails US Patent
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (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
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (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