BDBM497004 US11001561, Compound 3::US11001561, Compound 3a::US11702392, Compound 3

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  8 IC50

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 8 hits for monomerid = 497004   

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

US Patent
LigandPNGBDBM497004(US11001561, Compound 3a | US11001561, Compound 3 |...)
Affinity DataIC50: 200nMAssay 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:
11/8/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Merck Patent

US Patent
LigandPNGBDBM497004(US11001561, Compound 3a | US11001561, Compound 3 |...)
Affinity DataIC50: 1.00E+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:
11/8/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Merck Patent

US Patent
LigandPNGBDBM497004(US11001561, Compound 3a | US11001561, Compound 3 |...)
Affinity DataIC50: 200nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Merck Patent

US Patent
LigandPNGBDBM497004(US11001561, Compound 3a | US11001561, Compound 3 |...)
Affinity DataIC50: 122nMAssay Description:Inhibition of N-terminal his6-tagged wild type recombinant human SHP2 (1 to 597 residues) expressed in Escherichia coli BL21 (DE3) cells using fluoro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Merck Patent

US Patent
LigandPNGBDBM497004(US11001561, Compound 3a | US11001561, Compound 3 |...)
Affinity DataIC50: 122nMAssay Description:Inhibition of N-terminal his6-tagged wild type recombinant human SHP2 (1 to 597 residues) expressed in Escherichia coli BL21 (DE3) cells using fluoro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Merck Patent

US Patent
LigandPNGBDBM497004(US11001561, Compound 3a | US11001561, Compound 3 |...)
Affinity DataIC50: 123nMAssay Description:Inhibition of human SHP2 assessed as downregulation of PERK level in human KYSE520 cells incubated for 2 hrs by Alpha screen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM497004(US11001561, Compound 3a | US11001561, Compound 3 |...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of hERG ion channel incubated for 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM497004(US11001561, Compound 3a | US11001561, Compound 3 |...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of hERG ion channel by manual patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed