BDBM50589971 CHEMBL5187038

SMILES CC(C)CC(C(=O)NO)C(=O)NCCn1cc(COc2ccccc2NC(C)=O)nn1

InChI Key InChIKey=OJABORXYWINGBT-UHFFFAOYSA-N

Data  4 KI  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 8 hits for monomerid = 50589971   

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

Curated by ChEMBL
LigandPNGBDBM50589971(CHEMBL5187038)
Affinity DataKi:  100nMAssay Description:Inhibition of Bacillus cereus ATCC 14579 collagenase unit of ColQ1 assessed as inhibition constant incubated for 144 seconds by FRET based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetCollagenase ColA(Bacillus cereus (strain ATCC 14579 / DSM 31 / CCUG...)
Helmholtz Center For Infection Research (Hzi)

Curated by ChEMBL
LigandPNGBDBM50589971(CHEMBL5187038)
Affinity DataKi:  3.40E+3nMAssay Description:Inhibition of Bacillus cereus ATCC 14579 collagenase unit of ColA assessed as inhibition constant incubated for 144 seconds by FRET based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetCollagenase ColH(Hathewaya histolytica)
Helmholtz Center For Infection Research (Hzi)

Curated by ChEMBL
LigandPNGBDBM50589971(CHEMBL5187038)
Affinity DataKi:  1.16E+4nMAssay Description:Inhibition of Clostridium histolyticum peptidase unit of ColH assessed as inhibition constant incubated for 144 seconds by FRET based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetCollagenase ColG(Clostridium histolyticum)
Helmholtz Center For Infection Research (Hzi)

Curated by ChEMBL
LigandPNGBDBM50589971(CHEMBL5187038)
Affinity DataKi:  3.10E+4nMAssay Description:Inhibition of Clostridium histolyticum collagenase unit of ColG assessed as inhibition constant incubated for 144 seconds by FRET based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCollagenase ColQ1(Bacillus cereus (strain Q1))
Helmholtz Center For Infection Research (Hzi)

Curated by ChEMBL
LigandPNGBDBM50589971(CHEMBL5187038)
Affinity DataIC50:  1.20E+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
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetStromelysin-1(Homo sapiens (Human))
Helmholtz Center For Infection Research (Hzi)

Curated by ChEMBL
LigandPNGBDBM50589971(CHEMBL5187038)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human recombinant MMP-3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Helmholtz Center For Infection Research (Hzi)

Curated by ChEMBL
LigandPNGBDBM50589971(CHEMBL5187038)
Affinity DataIC50: >1.00E+5nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Helmholtz Center For Infection Research (Hzi)

Curated by ChEMBL
LigandPNGBDBM50589971(CHEMBL5187038)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human recombinant MMP-2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed