BDBM14320 1-amino-isoquinoline::CHEMBL62083::Fragment 17::fragment 1 (J. med. chem.,50,1116)::isoquinolin-1-amine

SMILES c1ccc2c(c1)ccnc2N

InChI Key InChIKey=OSILBMSORKFRTB-UHFFFAOYSA-N

Data  5 KI  4 IC50  2 Kd  1 Other

PDB links: 8 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 14320   

TargetBeta-secretase 1(Human)
Astex

LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DatapH: 5.0 T: 2°CAssay Description:Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Astex

LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataIC50: 2.00E+6nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibitory activity against neuronal nitric oxide synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibitory activity against inducible nitric oxide synthase (iNOS)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibitory activity against endothelial nitric oxide synthase (eNOS)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetTyrosine-protein kinase(Mouse)
The University of Adelaide

Curated by ChEMBL
LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataKd:  6.50E+5nMAssay Description:Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarizationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeutrophil cytosol factor 1(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataKd:  6.87E+5nMAssay Description:Binding affinity to immobilized recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cel...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetUrokinase-type plasminogen activator(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataKi:  5.01E+4nMAssay Description:Inhibition of urokinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetTryptase beta-2(Human)
Celera

LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataKi:  3.90E+5nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2007
Entry Details Article
PubMed
TargetSerine protease 1(Bovine)
Celera

LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataKi:  6.00E+5nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2007
Entry Details Article
PubMed
TargetCoagulation factor VII/Tissue factor(Human)
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataKi:  4.00E+6nMAssay Description:Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2018
Entry Details Article
PubMed
TargetNeutrophil cytosol factor 1(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataKi:  5.94E+5nMAssay Description:Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells intera...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed