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BDBM14322 2-Aminoquinoline 1::2-aminoquinoline::CHEMBL61236::Fragment 19::Quinolin-2-amine::fragment 2 (J. med. chem.,50,1116)::quinolin-2-amine

InChI string: InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)

SMILES: Nc1ccc2ccccc2n1

InChI Key: InChIKey=GCMNJUJAKQGROZ-UHFFFAOYSA-N

Data: 3 KI  5 IC50  3 Kd  3 EC50  1 Other

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 14322   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(RAT)
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Eur J Pharmacol 168: 387-92 (1989)

More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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PubMed
2.20E+5 -4.94n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)

More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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PubMed
5.60E+5 -4.39n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)

More data for this
Ligand-Target Pair
Nck adaptor protein 1


(Homo sapiens)
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/an/an/a 1.50E+5n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from human Nck kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Mus musculus)
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/an/a 1.25E+5n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)

More data for this
Ligand-Target Pair
Nitric Oxide Synthase I218V


(Bacillus subtilis)
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/a 6.39E+4n/an/an/an/an/an/a



University of California, Irvine



Assay Description
Reactions were carried out using the buffered solution reported for the three-component reaction. The bBiDomain reactions included 100 nm bBiDomain a...


Biochemistry 55: 5587-5594 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase TEC


(Mus musculus)
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/an/an/a 1.60E+5n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/an/a 9.00E+5n/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay


J Med Chem 54: 5836-57 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/a 8.00E+5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 using 19F-labeled EVNLDAEF(CF3) as substrate after 20 mins by NMR spectrometery


J Med Chem 54: 5836-57 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/an/a 9.00E+5n/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BACE1 by surface plasmon resonance method


J Med Chem 55: 678-87 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase


(Bacillus subtilis)
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/a 2.73E+4n/an/an/an/an/an/a



University of California, Irvine



Assay Description
Reactions were carried out using the buffered solution reported for the three-component reaction. The bBiDomain reactions included 100 nm bBiDomain a...


Biochemistry 55: 5587-5594 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/a 1.70E+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)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/an/an/an/an/an/a5.022



Astex



Assay 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 ...


J Med Chem 50: 1116-23 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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PubMed
n/an/a 2.00E+6n/an/an/an/a5.022



Astex



Assay 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 ...


J Med Chem 50: 1124-32 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SRC


(Homo sapiens)
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-2 peptide from human Hck kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)

More data for this
Ligand-Target Pair