BDBM50553786 CHEMBL4789106

SMILES CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)CN

InChI Key InChIKey=HFZSVNQUAOVFHI-UHFFFAOYSA-N

Data  1 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50553786   

LigandPNGBDBM50553786(CHEMBL4789106)
Affinity DataIC50: 17nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50553786(CHEMBL4789106)
Affinity DataIC50: 88nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50553786(CHEMBL4789106)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of human ERG by Q-patch assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553786(CHEMBL4789106)
Affinity DataIC50: 23nMAssay 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
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50553786(CHEMBL4789106)
Affinity DataIC50: 1.00E+4nMAssay Description:Allosteric inhibition of recombinant human SHP2 PTP domain (237 to 535 residues) using DiFMUP as substrate preincubated for 30 mins and followed by s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 6(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50553786(CHEMBL4789106)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of wild-type SHP1 (2 to 595 residues) (unknown origin) using DiFMUP as substrate and measured by biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50553786(CHEMBL4789106)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of wild-type PTP1B (2 to 435 residues) (unknown origin) using DiFMUP as substrate and measured by biochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
LigandPNGBDBM50553786(CHEMBL4789106)
Affinity DataKi:  22nMAssay Description:Reversible inhibition of wild-type human SHP2 using DiFMUP as substrate and measured by jump dilution assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)