BDBM50245848 CHEMBL462360::N-(2-(7-chloroquinolin-4-ylamino)ethyl)-2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)acetamide::N-[2-(7-Chloro-quinolin-4-ylamino)-ethyl]-2-(3-methyl-1,2-dioxa-spiro[4.5]dec-3-yl)-acetamide

SMILES CC1(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)CC2(CCCCC2)OO1

InChI Key InChIKey=PCBPNOBJASOPBO-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50245848   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Institute Infectious Diseases Initiative

Curated by ChEMBL
LigandPNGBDBM50245848(CHEMBL462360 | N-(2-(7-chloroquinolin-4-ylamino)et...)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Institute Infectious Diseases Initiative

Curated by ChEMBL
LigandPNGBDBM50245848(CHEMBL462360 | N-(2-(7-chloroquinolin-4-ylamino)et...)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Institute Infectious Diseases Initiative

Curated by ChEMBL
LigandPNGBDBM50245848(CHEMBL462360 | N-(2-(7-chloroquinolin-4-ylamino)et...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institute Infectious Diseases Initiative

Curated by ChEMBL
LigandPNGBDBM50245848(CHEMBL462360 | N-(2-(7-chloroquinolin-4-ylamino)et...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Institute Infectious Diseases Initiative

Curated by ChEMBL
LigandPNGBDBM50245848(CHEMBL462360 | N-(2-(7-chloroquinolin-4-ylamino)et...)
Affinity DataIC50:  3.40E+3nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed