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

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

SMILES c1ccc2c(c1)ccc(n2)N

InChI Key InChIKey=GCMNJUJAKQGROZ-UHFFFAOYSA-N

Data 5 KI 5 IC50 5 Kd 3 EC50 1 Other

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 14322

Beta-secretase 1(Human)
Amgen

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

IC50: 8.00E+5nMAssay Description:Inhibition of BACE1 using 19F-labeled EVNLDAEF(CF3) as substrate after 20 mins by NMR spectrometryMore data for this Ligand-Target Pair

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Date in BDB:
3/23/2012
Entry Details Article
PubMed PDB

3D Structure (crystal)

Neutrophil cytosol factor 1(Human)
University of Copenhagen

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

Kd: 2.43E+5nMAssay Description:Binding affinity to His-tagged human p47phox (151 to 386 residues) expressed in Escherichia coli BL21 (DE3) pLysS assessed as dissociation constant b...More data for this Ligand-Target Pair

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Date in BDB:
12/20/2024
Entry Details
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Neutrophil cytosol factor 1(Human)
University of Copenhagen

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

Kd: 4.88E+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

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Date in BDB:
2/23/2021
Entry Details Article
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Tyrosine-protein kinase(Mouse)
The University of Adelaide

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

EC50: 1.60E+5nMAssay Description:Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarizationMore data for this Ligand-Target Pair

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Date in BDB:
11/10/2009
Entry Details Article
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Tyrosine-protein kinase HCK(Human)
The University of Adelaide

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

EC50: >1.00E+6nMAssay Description:Displacement of PRP-2 peptide from human Hck kinase SH3 domain by fluorescence polarizationMore data for this Ligand-Target Pair

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Date in BDB:
11/10/2009
Entry Details Article
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Tyrosine-protein kinase(Mouse)
The University of Adelaide

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

Kd: 1.25E+5nMAssay Description:Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarizationMore data for this Ligand-Target Pair

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Date in BDB:
11/10/2009
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Cytoplasmic protein NCK1(Human)
The University of Adelaide

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

EC50: 1.50E+5nMAssay Description:Displacement of PRP-1 peptide from human Nck kinase SH3 domain by fluorescence polarizationMore data for this Ligand-Target Pair

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Date in BDB:
11/10/2009
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Beta-secretase 1(Human)
Amgen

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

Kd: 9.00E+5nMAssay Description:Binding affinity to BACE1 by surface plasmon resonance methodMore data for this Ligand-Target Pair

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Date in BDB:
2/7/2013
Entry Details Article
PubMed PDB

3D Structure (crystal)

Beta-secretase 1(Human)
Amgen

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

Kd: 9.00E+5nMAssay Description:Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assayMore data for this Ligand-Target Pair

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Date in BDB:
3/23/2012
Entry Details Article
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3D Structure (crystal)

Nitric oxide synthase, inducible(Human)
Merck Research Laboratories

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

IC50: 1.70E+3nMAssay Description:Inhibitory activity against inducible nitric oxide synthase (iNOS)More data for this Ligand-Target Pair

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Date in BDB:
11/10/2009
Entry Details Article
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Nitric oxide synthase oxygenase [E25A,E26A,I218V,E316A](Bacillus subtilis)
University of California Irvine

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

IC50: 6.39E+4nMAssay Description:Reactions were carried out using the buffered solution reported for the three-component reaction. The bBiDomain reactions included 100 nm bBiDomain a...More data for this Ligand-Target Pair

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Date in BDB:
10/24/2016
Entry Details Article
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3D Structure (crystal)

Nitric oxide synthase oxygenase [E25A,E26A,E316A](Bacillus subtilis)
University of California Irvine

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

IC50: 2.73E+4nMAssay Description:Reactions were carried out using the buffered solution reported for the three-component reaction. The bBiDomain reactions included 100 nm bBiDomain a...More data for this Ligand-Target Pair

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Date in BDB:
10/24/2016
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3D Structure (crystal)

Beta-secretase 1(Human)
Amgen

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

pH: 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

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Date in BDB:
5/15/2007
Entry Details Article
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3D Structure (crystal)

Beta-secretase 1(Human)
Amgen

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

IC50: 2.00E+6nMpH: 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

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Date in BDB:
5/14/2007
Entry Details Article
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3D Structure (crystal)

5-hydroxytryptamine receptor 3A(Rat)
Virginia Commonwealth University

Curated by PDSP K_i Database

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

Ki: 1.00E+3nMMore data for this Ligand-Target Pair

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Date in BDB:
11/22/2011
Entry Details Article
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Serotonin 2 (5-HT2) receptor(Rat)
TBA

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

Ki: 7.90E+4nMAssay Description:Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenatesMore data for this Ligand-Target Pair

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Date in BDB:
12/18/2018
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Tryptase beta-2(Human)
Celera

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

Ki: 2.20E+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

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Date in BDB:
3/12/2007
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Neutrophil cytosol factor 1(Human)
University of Copenhagen

Curated by ChEMBL

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

Ki: 4.28E+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

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Date in BDB:
2/23/2021
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Serine protease 1(Bovine)
Celera

BDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)

Ki: 5.60E+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

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Date in BDB:
3/12/2007
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Filter my 19 hits

Targets 12▿
- Beta-secretase 1 5
- Neutrophil cytosol factor 1 3
- Tyrosine-protein kinase 2
- Nitric oxide synthase oxygenase [E25A,E26A,E316A] 1
- Cytoplasmic protein NCK1 1
- Nitric oxide synthase oxygenase [E25A,E26A,I218V,E316A] 1
- Nitric oxide synthase, inducible 1
- Serine protease 1 1
- 5-hydroxytryptamine receptor 3A 1
- Serotonin 2 (5-HT2) receptor 1
- Tryptase beta-2 1
- Tyrosine-protein kinase HCK 1
Publications 12▿
- J Med Chem 47: 5405-17 (2004) 4
- Biochemistry 55: 5587-5594 (2016) 2
- J Med Chem 63: 1156-1177 (2020) 2
- J Med Chem 54: 5836-57 (2011) 2
- Biochemistry 45: 5964-73 (2006) 2
- J Med Chem 50: 1116-23 (2007) 1
- J Med Chem 50: 1124-32 (2007) 1
- J Med Chem 29: 2375-80 (1986) 1
- J Med Chem 66: 14963-15005 (2023) 1
- J Med Chem 55: 678-87 (2012) 1
- Eur J Pharmacol 168: 387-92 (1989) 1
- Bioorg Med Chem Lett 10: 1975-8 (2001) 1
Institutions 9▿
- The University of Adelaide 4
- Amgen 3
- University of Copenhagen 3
- Celera 2
- Astex 2
- University of California Irvine 2
- TBA 1
- Merck Research Laboratories 1
- Virginia Commonwealth University 1
Affinity: 1.0E+3 to 2.0E+6 nM▿
- Ki 5
- IC50 5
- Kd 5
- EC50 3
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1