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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 14320   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM14320
PNG
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Show SMILES Nc1nccc2ccccc12
Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
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Article
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against endothelial nitric oxide synthase (eNOS)


Bioorg Med Chem Lett 10: 1975-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00389-9
BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM14320
PNG
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Show SMILES Nc1nccc2ccccc12
Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against inducible nitric oxide synthase (iNOS)


Bioorg Med Chem Lett 10: 1975-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00389-9
BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM14320
PNG
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Show SMILES Nc1nccc2ccccc12
Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase


Bioorg Med Chem Lett 10: 1975-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00389-9
BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM14320
PNG
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Show SMILES Nc1nccc2ccccc12
Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
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Article
PubMed
n/an/a 2.00E+6n/an/an/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Inhibition of BACE1


J Med Chem 51: 3661-80 (2008)


Article DOI: 10.1021/jm8000373
BindingDB Entry DOI: 10.7270/Q2N58M4H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)