BDBM50232880 Benzo[D]Isoxazol-3-Ol::CHEMBL444173

SMILES c1ccc2c(c1)c(no2)O

InChI Key InChIKey=QLDQYRDCPNBPII-UHFFFAOYSA-N

Data  1 IC50  3 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50232880   

TargetD-3-phosphoglycerate dehydrogenase(Human)
University of Louvain

Curated by ChEMBL
LigandPNGBDBM50232880(Benzo[D]Isoxazol-3-Ol | CHEMBL444173)
Affinity DataKd:  6.50E+6nMAssay Description:Binding affinity to human N-terminal His6-tagged truncated PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by ITC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/24/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50232880(Benzo[D]Isoxazol-3-Ol | CHEMBL444173)
Affinity DataIC50: 418nMAssay Description:Inhibition of human DAAO using D-KYN as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by FP-6300-based flu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetD-amino-acid oxidase(Pig)
Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50232880(Benzo[D]Isoxazol-3-Ol | CHEMBL444173)
Affinity DataKd:  440nMAssay Description:Binding affinity to pig kidney DAAO by ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
University of Louvain

Curated by ChEMBL
LigandPNGBDBM50232880(Benzo[D]Isoxazol-3-Ol | CHEMBL444173)
Affinity DataKd:  6.50E+6nMAssay Description:Binding affinity to human PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)