BDBM50589979 CHEMBL5177477

SMILES c1c2c(cc(c1Cl)Cl)nc(c(n2)P(=O)(O)O)P(=O)(O)O

InChI Key InChIKey=BHYCREODMJPRFJ-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
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 4 hits for monomerid = 50589979   

TargetCollagenase ColQ1(Bacillus cereus (strain Q1))
Helmholtz Center For Infection Research (Hzi)

Curated by ChEMBL
LigandPNGBDBM50589979(CHEMBL5177477)
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of Bacillus cereus collagenase unit of N-terminal His6-tagged ColQ1 expressed in Escherichia coli NiCo21(DE3) cells incubated for 144 seco...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetInterstitial collagenase(Human)
Helmholtz Center For Infection Research (Hzi)

Curated by ChEMBL
LigandPNGBDBM50589979(CHEMBL5177477)
Affinity DataIC50: 5.30E+4nMAssay Description:Inhibition of human recombinant N-terminal his6-tagged MMP-1 expressed in HEK293 cells by microplate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
Target72 kDa type IV collagenase(Human)
Helmholtz Center For Infection Research (Hzi)

Curated by ChEMBL
LigandPNGBDBM50589979(CHEMBL5177477)
Affinity DataIC50: 7.90E+4nMAssay Description:Inhibition of human recombinant MMP-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetStromelysin-1(Human)
Helmholtz Center For Infection Research (Hzi)

Curated by ChEMBL
LigandPNGBDBM50589979(CHEMBL5177477)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of human recombinant MMP-3More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed