BDBM50041457 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol::AMODIAQUINE::CHEMBL682::med.21724, Compound 188

SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O

InChI Key InChIKey=OVCDSSHSILBFBN-UHFFFAOYSA-N

Data  1 KI  29 IC50  1 Kd  7 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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50041457   

TargetHistamine N-methyltransferase(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataKi:  19nMAssay Description:Inhibition of histamine N-methyltransferase by radiochemical assayMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 4 group A member 2(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 1A2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human recombinant CYP3A4 using phenylpiperazinylmethylbenzylresofurin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of human recombinant CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of human recombinant CYP2C8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C9(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  6.20E+4nMAssay Description:Inhibition of human recombinant CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2D6(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  6.10E+3nMAssay Description:Inhibition of human recombinant CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  2.40E+3nMAssay Description:Inhibition of human cloned ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeparanase(Homo sapiens (Human))
Centro De Investigaci�N Pr�Ncipe Felipe

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of human CYP3A4 using DEF substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP3A4 using PPR substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  6.10E+3nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of human CYP2C8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C9(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  6.20E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C19(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  8.50E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(Plasmodium falciparum)
Universit£

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  7.90E+8nMAssay Description:Inhibition of beta-hematin formation by BHIA assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(Plasmodium falciparum)
Universit£

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataIC50:  1.67E+5nMAssay Description:Inhibition of Tween 20-induced beta-hematin formation by colorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase(Plasmodium falciparum)
Washington University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
University Of Lille

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
University Of Lille

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Institut Pasteur Korea

LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetOrf1a protein(MERS-CoV)
University Of Bonn

LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataEC50:  2.10E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrf1a protein(MERS-CoV)
University Of Bonn

LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataEC50:  6.21E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
University Of Bonn

LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Affinity DataEC50:  1.27E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 4 group A member 2(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 4 group A member 2(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 4 group A member 2(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 2(Caenorhabditis elegans)
Washington University

LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
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 DepthDetails ArticlePubMed