BDBM50291707 (S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methoxy-phenyl)-phosphinic acid 2-fluoro-ethyl ester::CHEMBL347021

SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO

InChI Key InChIKey=KFUADVZPCULIED-KWMCUTETSA-N

Data  9 KI  2 IC50

  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 11 hits for monomerid = 50291707   

TargetStromelysin-1(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291707((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Affinity DataKi:  9.10nMAssay Description:Inhibition of Matrix metalloprotease-3 (MMP-3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291707((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Affinity DataKi:  9.10nMAssay Description:Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291707((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Affinity DataKi:  11nMAssay Description:Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291707((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Affinity DataKi:  11nMAssay Description:Inhibition of Matrix metalloprotease-1 (MMP-1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291707((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Affinity DataKi:  11nMAssay Description:Inhibition of Matrix metalloprotease-9 (MMP-9)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291707((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Affinity DataKi:  11nMAssay Description:Inhibitory constant against recombinant human Matrix metalloproteinase-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291707((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Affinity DataKi: >650nMAssay Description:Inhibitory constant against recombinant human Matrix metalloproteinase-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291707((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Affinity DataKi:  686nMAssay Description:Inhibitory constant against recombinant human Matrix metalloproteinase-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291707((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Affinity DataKi: >800nMAssay Description:Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291707((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Affinity DataIC50:  180nMAssay Description:Inhibition of heparin-binding epidermal growth factor (HB-EGF) sheddingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmphiregulin(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291707((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Affinity DataIC50:  470nMAssay Description:In vitro amphiregulin shedding inhibitionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed