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 7 hits for monomerid = 22985   

TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
University of Bonn

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataIC50:  5.47E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
University of Bonn

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataEC50:  8.80E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrf1a protein(MERS-CoV)
University of Bonn

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataEC50:  3.00E+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

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataEC50:  4.10E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(HCoV-229E)
University of Bonn

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataEC50:  3.30E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrf1a protein(MERS-CoV)
University of Bonn

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataEC50:  6.27E+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

LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Affinity DataEC50:  6.53E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed