BDBM50056190 4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl-phenol::CHEMBL1235::Desethyl amodiaquine::Monodesethylamodiaquine::N-Monodesethylamodiaquine (Deaq)::bidesethylamodiaquine::desethylamodiaquine

SMILES CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O

InChI Key InChIKey=VRXFDHAGFYWGHT-UHFFFAOYSA-N

Data  15 IC50

  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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50056190   

TargetCytochrome P450 3A4(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of human recombinant CYP3A4 using N-N,diethyl-formamide as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant CYP3A4 using phenyl-piperazinyl-methyl-benzyl-resofurin as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of human recombinant CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human recombinant CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 5.80E+4nMAssay Description:Inhibition of human recombinant CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibition of human recombinant CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of human recombinant CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 9.50E+3nMAssay Description:Inhibition of human cloned ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of human CYP3A4 using DEF substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP3A4 using PPR substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 5.80E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(bidesethylamodiaquine | desethylamodiaquine | Mono...)
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed