BDBM50626703 CHEMBL5428185

SMILES OC(=O)CN1C(=S)S\C(=C/c2cccc(OCCCCc3ccccc3)c2)C1=O

InChI Key InChIKey=KHPGDYXZVZUJCP-UHFFFAOYSA-N

Data  4 KI  3 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 7 hits for monomerid = 50626703   

TargetAldo-keto reductase family 1 member B1(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50626703(CHEMBL5428185)
Affinity DataKi:  30nMAssay Description:Mixed non-competitive inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21(DE3)pLysS assessed as apparent dissociation constant ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetAldo-keto reductase family 1 member B1(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50626703(CHEMBL5428185)
Affinity DataIC50: 60nMAssay Description:Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21(DE3)pLysS using L-idose as substrate by NADPH oxidation based absorbance an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetAldo-keto reductase family 1 member B1(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50626703(CHEMBL5428185)
Affinity DataKi:  80nMAssay Description:Mixed non-competitive inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21(DE3)pLysS assessed as apparent dissociation constant ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50626703(CHEMBL5428185)
Affinity DataKi:  4.30E+3nMAssay Description:Non-competitive inhibition of N-terminal polyHis-tagged human PTP1B1 (1 to 303 residues) expressed in Escherichia coli BL21(DE3)pLysS assessed as app...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50626703(CHEMBL5428185)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of N-terminal polyHis-tagged human PTP1B1 (1 to 303 residues) expressed in Escherichia coli BL21(DE3)pLysS using pNPP as substrate by spec...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50626703(CHEMBL5428185)
Affinity DataKi:  4.60E+3nMAssay Description:Non-competitive inhibition of N-terminal polyHis-tagged human PTP1B1 (1 to 303 residues) expressed in Escherichia coli BL21(DE3)pLysS assessed as app...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50626703(CHEMBL5428185)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of N-terminal polyHis-tagged human recombinant TC-PTPb (1 to 415 residues) expressed in Escherichia coli BL21(DE3)pLysSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed