BDBM22985 Aralen::CHEMBL76::CHLOROQUINE PHOSPHATE::Chlorochin::Chloroquine::Chloroquine, 17::med.21724, Compound 8::{4-[(7-chloroquinolin-4-yl)amino]pentyl}diethylamine

SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12

InChI Key InChIKey=WHTVZRBIWZFKQO-UHFFFAOYSA-N

Data  12 KI  52 IC50  1 Kd  12 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 77 hits for monomerid = 22985   

TargetSigma non-opioid intracellular receptor 1(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  79nMAssay Description:Displacement of [3H]-pentazocin from the Sigma1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma intracellular receptor 2(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  501nMAssay Description:Displacement of [3H]-DTG from the Sigma2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  3.16E+3nMAssay Description:hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  3.31E+3nMAssay Description:Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  4.37E+3nMAssay Description:Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  4.68E+3nMAssay Description:Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  5.75E+3nMAssay Description:Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  7.50E+3nMAssay Description:Inhibition of human ERG expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  9.12E+3nMAssay Description:Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2C adrenergic receptor(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  1.00E+4nMAssay Description:Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  2.19E+4nMAssay Description:Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2B adrenergic receptor(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKi:  3.16E+4nMAssay Description:Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  2.51E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA ligase A(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
India Central Drug Research Institute

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  4.60E+4nMpH: 8.0 T: 25°CAssay Description:The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA ligase(Enterobacteria phage T4)
India Central Drug Research Institute

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  1.60E+6nMpH: 7.6 T: 25°CAssay Description:The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA ligase A(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
India Central Drug Research Institute

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  4.60E+4nMpH: 8.0 T: 25°CAssay Description:The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA ligase(Enterobacteria phage T4)
India Central Drug Research Institute

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  1.60E+6nMpH: 7.6 T: 25°CAssay Description:The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium-dependent protein kinase 1(Plasmodium Falciparum)
The Scripps Research Institute

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataEC50:  68nMpH: 7.5 T: 24°CAssay Description:This parasite proliferation assay, a modification of published DNA intercalating fluorescent dye-based assay, was adapted to 384-well plate format an...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  1.52E+4nMAssay Description:Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Human)
University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of human recombinant NQO2More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of human ERG expressed in HEK293 cells assessed as reduction in tail current at membrane potential of +20 mVMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of human cloned ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  3.50E+5nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetRiboflavin-binding protein(Chicken)
Calvin College

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataKd:  2.10E+3nMpH: 7.4Assay Description:Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calori...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibitory concentration against IKr potassium channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMajor prion protein(Human)
Institut F£R Molekularbiologie Und Biophysik

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataEC50:  4.00E+3nMAssay Description:Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMO15-related protein kinase Pfmrk(malaria parasite P. falciparum)
Walter Reed Army Institute of Research

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  1.50E+5nMAssay Description:Inhibition of Plasmodium falciparum cyclin-dependent kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  7.65E+4nMAssay Description:Inhibition of 1-monooleoyl glycerol (MOG) induced beta-hematin formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  5.90E+6nMAssay Description:Inhibition of beta-hematin formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  4.63E+4nMAssay Description:Inhibition of lipid-induced beta-hematin formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  9.10E+8nMAssay Description:Inhibition of beta-hematin formation by BHIA assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  400nMAssay Description:Inhibition of beta-hematin polymerizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  1.69E+9nMAssay Description:Inhibition of beta-hematin formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  2.52E+5nMAssay Description:Inhibition of Tween 20-induced beta-hematin formation by colorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  2.56E+9nMAssay Description:Inhibition of beta-hematin formation by BHIA assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  1.54E+4nMAssay Description:Inhibition of beta-hematin formation after 16 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  3.80E+4nMAssay Description:Inhibition of beta-hematin formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  7.50E+4nMAssay Description:Inhibition of beta-hematin formation in Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of hematin polymerizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  6.00E+4nMAssay Description:Inhibition of 1-monooleoyl glycerol induced beta-hematin formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  76.5nMAssay Description:Inhibitory activity against beta-hematin formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase(malaria parasite P. falciparum)
Washington University

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  5.54E+5nMAssay 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 DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bovine)
Affiliated To Sardar Patel University

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  31.3nMAssay Description:Inhibition of bovine liver DHFR using FH2 as substrate preincubated for 2 mins followed by substrate addition in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bovine)
Affiliated To Sardar Patel University

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  30nMAssay Description:Inhibition of bovine liver DHFR pre-incubated 2 mins before dihydrofolic acid substrate addition and measured over 10 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  1.04E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bovine)
Affiliated To Sardar Patel University

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  30nMAssay Description:Inhibition of bovine liver DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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