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:
   Substructure
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(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  5.40E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of human recombinant CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of human recombinant CYP2C8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  5.80E+4nMAssay Description:Inhibition of human recombinant CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  5.40E+4nMAssay Description:Inhibition of human recombinant CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  6.40E+3nMAssay Description:Inhibition of human recombinant CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  9.50E+3nMAssay Description:Inhibition of human cloned ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibition of human CYP3A4 using DEF substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of human CYP3A4 using PPR substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  6.40E+3nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of human CYP2C8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50:  5.80E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Liverpool

Curated by ChEMBL
LigandPNGBDBM50056190(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human recombinant CYP3A4 using phenylpiperazinylmethylbenzylresofurin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed