BDBM50546219 CHEMBL4752026::US11596633, Compound B::US11702392, Compound RMC-4550

SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N

InChI Key InChIKey=IKUYEYLZXGGCRD-UHFFFAOYSA-N

Data  1 KI  13 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 14 hits for monomerid = 50546219   

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 0.583nMAssay Description:Inhibition of SHP2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 31nMAssay Description:Allosteric inhibition of SHP2 in human PC9 cells assessed as reduction in oncogenic EGFR exon19del-driven ERK1/ERK2 phosphorylation at Thr202/Tyr204 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of His6-fused human PTP1B expressed in Escherichia coli cells using DiFMUP as substrate preincubated for 30 followed by substrate addition...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 6(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of His6-fused human SHP1 catalytic domain expressed in Escherichia coli cells using DiFMUP as substrate preincubated for 30 followed by su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 6(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of His6-fused human full length SHP1 expressed in Escherichia coli cells using DiFMUP as substrate preincubated for 30 mins followed by su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 1.5nMAssay Description:Allosteric inhibition of [H2N-LN(pY)AQLWHA(PEG8)LTI(pY)ATIRRF-amide]-activated N-terminal His6-fused human full length SHP2 (Met 1 to Arg 593 residue...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of N-terminal 6His-tagged full-length H2N-VE(pY)LDLDLD(PEG8)RVD(pY)VVVDQQ-amide-activated SHP2 (247 to 529 residues) (unknown origin) expr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Mouse)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 7nMAssay Description:Inhibition of SHP2 in mouse EMT6 cells harboring SOS1 mutationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 1.5nMAssay Description:Allosteric inhibition of wild-type human SHP2 (1 to 535 residues) using DiFMUP and 2p-IRS1 peptide as substrates preincubated for 1 hr and followed b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 1.55nMAssay Description:Objective: To demonstrate the inhibition of SHP2 activity with Compounds A, B, and C. Without wishing to be bound by theory, SHP is allosterically ac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2023
Entry Details
Go to US Patent

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 4nMAssay Description:Allosteric inhibition of recombinant human SHP2 using IRS1 peptide and DiFMUP as substrate incubated for 30 mins followed by DiFMUP addition and meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 3.35E+3nMAssay Description:Inhibition of human ERG by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataIC50: 0.0583nMAssay Description:Inhibition of wildtype SHP2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50546219(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Affinity DataKi:  600nMAssay 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
Go to US Patent