BDBM608823 (3M)-6-[(3S,4S)-4-amino-3- methyl-2-oxa-8- azaspiro[4.5]decan-8-yl]-3-(2,3- dichlorophenyl)-2-methyl-3,4- dihydropyrimidin-4-one::US11702392, Compound 3b

SMILES C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N

InChI Key InChIKey=WYUIJDCKOPRFJO-UHFFFAOYSA-N

Data  1 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 608823   

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Merck Patent

US Patent
LigandPNGBDBM608823(US11702392, Compound 3b | (3M)-6-[(3S,4S)-4-amino-...)
Affinity DataIC50: 37nMAssay Description:The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Merck Patent

US Patent
LigandPNGBDBM608823(US11702392, Compound 3b | (3M)-6-[(3S,4S)-4-amino-...)
Affinity DataIC50: 38nMAssay Description:The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM608823(US11702392, Compound 3b | (3M)-6-[(3S,4S)-4-amino-...)
Affinity DataIC50: 93nMAssay Description:The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Patent

US Patent
LigandPNGBDBM608823(US11702392, Compound 3b | (3M)-6-[(3S,4S)-4-amino-...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of the ion channel hErg (or Kv11.1) current causes QT interval prolongation resulting in potentially fatal ventricular tachyarrhythmia cal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
US Patent

LigandPNGBDBM608823(US11702392, Compound 3b | (3M)-6-[(3S,4S)-4-amino-...)
Affinity DataIC50: 4.00E+4nMAssay Description:The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
US Patent
PDB3D3D Structure (crystal)