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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 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
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
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