BDBM586429 Amodiaquin::BDBM50041457::USRE49340, Rank 6

SMILES CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl

InChI Key

Data  1 KI  30 IC50  1 Kd  8 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 586429   

TargetReplicase polyprotein 1ab(2019-nCoV)
Institut Pasteur Korea

LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 5.15E+3nMAssay Description:Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2020
Entry Details Article
PubMed
TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 3.40E+6nMpH: 8.0 T: 2°CAssay Description:A radiochemical assay was used to measure enzymatic activity.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 8.50E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
University of Siena

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 7.90E+8nMAssay Description:Inhibition of beta-hematin formation by BHIA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
University of Siena

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 1.67E+5nMAssay Description:Inhibition of Tween 20-induced beta-hematin formation by colorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetPhosphoethanolamine N-methyltransferase(malaria parasite P. falciparum)
Washington University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 1.35E+6nMAssay Description:Inhibition of Plasmodium falciparum phosphoethanolamine methyltransferase using phospethanolamine as substrate by radiochemical assay in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 7.78E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 4.00E+3nMAssay Description:Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 40 residues) production measured after 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 5.40E+3nMAssay Description:Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 42 residues) production measured after 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of human CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetOrf1a protein(MERS-CoV)
University of Bonn

LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataEC50:  2.10E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetOrf1a protein(MERS-CoV)
University of Bonn

LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataEC50:  6.21E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataEC50:  1.27E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetNuclear receptor subfamily 4 group A member 2(Human)
Goethe University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataEC50:  3.60E+4nMAssay Description:Agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity incubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetD-amino-acid oxidase(Human)
National Taiwan University

US Patent
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 9.76E+4nMAssay Description:The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a ne...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2023
Entry Details
US Patent

TargetNuclear receptor subfamily 4 group A member 2(Human)
Goethe University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataEC50:  4.10E+4nMAssay Description:Agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity by hybrid ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetNuclear receptor subfamily 4 group A member 2(Human)
Goethe University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataEC50:  8.20E+4nMAssay Description:Agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetNuclear receptor subfamily 4 group A member 2(Human)
Goethe University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataEC50:  2.00E+4nMAssay Description:Agonist activity at Nurr1 ligand binding domain (unknown origin) measured by Gal4-based reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetNuclear receptor subfamily 4 group A member 2(Human)
Goethe University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataEC50:  3.60E+4nMAssay Description:Agonist activity at Gal4-fused human full length Nurr1 transfected in human HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as activation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of human recombinant CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetPhosphoethanolamine N-methyltransferase 2(Caenorhabditis elegans)
Washington University

LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 3.10E+6nMpH: 8.0 T: 2°CAssay Description:A radiochemical assay was used to measure enzymatic activity.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 640nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 990nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 4.10E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of human recombinant CYP3A4 using N-N,diethyl-formamide as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant CYP3A4 using phenyl-piperazinyl-methyl-benzyl-resofurin as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 6.10E+3nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of human recombinant CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of human recombinant CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 6.10E+3nMAssay Description:Inhibition of human recombinant CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of human cloned ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetHeparanase(Human)
Centro De Investigaci�N Pr�Ncipe Felipe

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataKd:  5.26E+4nMAssay Description:Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of human CYP3A4 using DEF substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP3A4 using PPR substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetHistamine N-methyltransferase(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataKi:  19nMAssay Description:Inhibition of histamine N-methyltransferase by radiochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)