BindingDB PrimarySearch

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

SMILES: Nc1ccc2ccccc2n1

InChI Key: InChIKey=GCMNJUJAKQGROZ-UHFFFAOYSA-N

Data: 5 KI 5 IC50 4 Kd 3 EC50 1 Other

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 14322
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Serotonin (5-HT) receptor (RAT)	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by PDSP K_i Database									Eur J Pharmacol 168: 387-92 (1989) Article DOI: 10.1016/0014-2999(89)90802-9 BindingDB Entry DOI: 10.7270/Q23R0RC5
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates				J Med Chem 29: 2375-80 (1986) BindingDB Entry DOI: 10.7270/Q23N25KJ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1021/bi060173m BindingDB Entry DOI: 10.7270/Q2W09450
Celera					More data for this Ligand-Target Pair
Neutrophil cytosol factor 1 (Homo sapiens)	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.28E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells intera...				J Med Chem 63: 1156-1177 (2020) Article DOI: 10.1021/acs.jmedchem.9b01492
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1021/bi060173m BindingDB Entry DOI: 10.7270/Q2W09450
Celera					More data for this Ligand-Target Pair
Nitric Oxide Synthase (Bacillus subtilis)	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.73E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.biochem.6b00786 BindingDB Entry DOI: 10.7270/Q2028QBH
University of California, Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase I218V (Bacillus subtilis)	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.39E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.biochem.6b00786 BindingDB Entry DOI: 10.7270/Q2028QBH
University of California, Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2319V30
Merck Research Laboratories Rahway Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm200544q BindingDB Entry DOI: 10.7270/Q23J3DBN
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm200544q BindingDB Entry DOI: 10.7270/Q23J3DBN
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Binding affinity to BACE1 by surface plasmon resonance method				J Med Chem 55: 678-87 (2012) Article DOI: 10.1021/jm201441k BindingDB Entry DOI: 10.7270/Q2Q81F2J
Amgen, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	5.0	22
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) Article DOI: 10.1021/jm0611962 BindingDB Entry DOI: 10.7270/Q2Q23XHV
Astex					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase TEC (Mus musculus)	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm049533z BindingDB Entry DOI: 10.7270/Q26M369B
The University of Adelaide Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm049533z BindingDB Entry DOI: 10.7270/Q26M369B
The University of Adelaide Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase TEC (Mus musculus)	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm049533z BindingDB Entry DOI: 10.7270/Q26M369B
The University of Adelaide Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	5.0	22
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) Article DOI: 10.1021/jm061197u BindingDB Entry DOI: 10.7270/Q2TT4P6T
Astex					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil cytosol factor 1 (Homo sapiens)	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.88E+5	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to immobilized recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cel...				J Med Chem 63: 1156-1177 (2020) Article DOI: 10.1021/acs.jmedchem.9b01492
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Nck adaptor protein 1 (Homo sapiens (Human))	BDBM14322 (2-Aminoquinoline 1 \| 2-aminoquinoline \| CHEMBL6123...) Show SMILES Nc1ccc2ccccc2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm049533z BindingDB Entry DOI: 10.7270/Q26M369B
The University of Adelaide Curated by ChEMBL					More data for this Ligand-Target Pair