null

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

InChI Key InChIKey=YYRRVFYCIQQYHU-JWRCQZCYSA-N

  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 = 50291702   

TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291702((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)copy SMILEScopy InChI
Affinity DataKi:  5nMAssay Description:Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2K64HCMPubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291702((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)copy SMILEScopy InChI
Affinity DataKi:  5nMAssay Description:Inhibition of Matrix metalloprotease-9 (MMP-9)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QV3KS7PubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291702((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)copy SMILEScopy InChI
Affinity DataKi:  6nMAssay Description:Inhibition of Matrix metalloprotease-1 (MMP-1)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QV3KS7PubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291702((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)copy SMILEScopy InChI
Affinity DataKi:  6nMAssay Description:Inhibitory constant against recombinant human Matrix metalloproteinase-1More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2K64HCMPubMed
TargetStromelysin-1(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291702((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)copy SMILEScopy InChI
Affinity DataKi:  6.70nMAssay Description:Inhibition of Matrix metalloprotease-3 (MMP-3)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QV3KS7PubMed
TargetStromelysin-1(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291702((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)copy SMILEScopy InChI
Affinity DataKi:  6.70nMAssay Description:Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2K64HCMPubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291702((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)copy SMILEScopy InChI
Affinity DataKi:  125nMAssay Description:Inhibitory constant against recombinant human Matrix metalloproteinase-1More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2K64HCMPubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291702((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)copy SMILEScopy InChI
Affinity DataKi:  483nMAssay Description:Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2K64HCMPubMed
TargetStromelysin-1(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291702((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)copy SMILEScopy InChI
Affinity DataKi: >650nMAssay Description:Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2K64HCMPubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291702((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)copy SMILEScopy InChI
Affinity DataIC50: 510nMAssay Description:Inhibition of heparin-binding epidermal growth factor (HB-EGF) sheddingMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QV3KS7PubMed
TargetAmphiregulin(Homo sapiens (Human))
Organon K.K.

Curated by ChEMBL
LigandPNGBDBM50291702((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)copy SMILEScopy InChI
Affinity DataIC50: 1.47E+3nMAssay Description:In vitro amphiregulin shedding inhibitionMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QV3KS7PubMed