BDBM50549079 CHEMBL4747965

SMILES C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O

InChI Key InChIKey=DKGUWMFQYQOPSO-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50549079   

TargetMatrix metalloproteinase-9(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50549079(CHEMBL4747965)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human MMP-9 by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50549079(CHEMBL4747965)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human MMP-3 by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50549079(CHEMBL4747965)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human MMP-2 by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50549079(CHEMBL4747965)
Affinity DataIC50: 20nMAssay Description:Inhibition of histidine-tagged Pseudomonas aeruginosa LpxC (1-303) expressed in Escherichia coli BL21 (DE3) using UDP-3-O-(R-3-hydroxydecanoyl)-N-ace...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)