BDBM50546211 CHEMBL4796034

SMILES COc1cccc(-c2nnc3n(Cc4ccc(cc4Cl)C(=O)N4CCC[C@H]4C(O)=O)c(=O)c4ccccc4n23)c1O

InChI Key InChIKey=SUGSJIDJUCFQEX-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50546211   

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

Curated by ChEMBL
LigandPNGBDBM50546211(CHEMBL4796034)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of SHP2 PTP domain (unknown origin)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)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546211(CHEMBL4796034)
Affinity DataIC50: 1.89E+4nMAssay Description:Allosteric inhibition of IRS1_pY1172(dPEG8)pY1222 activated-human full length SHP2 (Met1 to Leu525 residues) expressed in Escherichia coli BL21 Star ...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)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546211(CHEMBL4796034)
Affinity DataIC50: 6.00E+4nMAssay 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)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546211(CHEMBL4796034)
Affinity DataIC50: 1.89E+4nMAssay Description:Inhibition of SHP2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546211(CHEMBL4796034)
Affinity DataIC50: 1.89E+4nMAssay Description:Inhibition of 6His-tagged TEV protease fused human SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 star (DE3) using DiFMUP as substrate p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed