BDBM50467780 CHEBI:5801::Hydroxychloroquine::acs.jmedchem.1c00409_ST.817::med.21724, Compound 9

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

InChI Key InChIKey=XXSMGPRMXLTPCZ-UHFFFAOYSA-N

Data  12 KI  7 IC50  3 EC50

  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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50467780   

TargetToll-like receptor 7(Human)
Csir-Indian Institute of Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataIC50: 800nMAssay Description:Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as reduction in CL264-induced NF-kappaB levels after 24 hrs by spectrophotomet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataIC50: 720nMAssay Description:Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) as a flurogenic substrate measured after 10 mins by fluorescence base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetCyclic GMP-AMP synthase(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of cGAS in human THP-1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetToll-like receptor 7(Human)
Csir-Indian Institute of Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataIC50: 800nMAssay Description:Antagonist activity at TLR7 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataIC50: 3.58E+6nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed
TargetToll-like receptor 7(Human)
Csir-Indian Institute of Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataIC50: 8.60E+3nMAssay Description:Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of CL264-induced NFkappaB activation by measuring reduction in S...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataEC50:  7.96E+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

LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataEC50:  8.27E+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
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataEC50:  740nMAssay 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
TargetToll-like receptor 9(Human)
Csir-Indian Institute of Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataIC50: 110nMAssay Description:Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  126nMAssay Description:Displacement of [3H]-pentazocin from the Sigma1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetSigma intracellular receptor 2(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  1.00E+3nMAssay Description:Displacement of [3H]-DTG from the Sigma2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  2.51E+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 Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  4.79E+3nMAssay Description:Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNBMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  5.13E+3nMAssay Description:Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNBMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  5.50E+3nMAssay Description:Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNBMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  6.46E+3nMAssay Description:Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  1.55E+4nMAssay Description:Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNBMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetAlpha-2C adrenergic receptor(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  1.58E+4nMAssay Description:Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  2.00E+4nMAssay Description:Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNBMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetAlpha-2B adrenergic receptor(Human)
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  7.24E+4nMAssay Description:Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetNonstructural protein 3(ZIKV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataKi:  9.23E+4nMAssay Description:Inhibition of Zika virus NS2B-NS3 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed