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
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50041457   

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 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 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