BDBM50209505 CHEMBL244239::N-(2-((2-((3,4-dimethoxyphenethyl)(methyl)amino)ethyl)carbamoyl)phenyl)quinoline-3-carboxamide

SMILES COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC

InChI Key InChIKey=LUNFWPKHPVTQAR-UHFFFAOYSA-N

Data  10 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 10 hits for monomerid = 50209505   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50209505(CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...)
Affinity DataIC50:  1.62E+3nMAssay Description:Inhibition of human CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin substrate after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50209505(CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP2A6 expressed in insect microsome after 15 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50209505(CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...)
Affinity DataIC50:  5.82E+3nMAssay Description:Inhibition of human CYP2C8 expressed in insect microsome after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50209505(CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...)
Affinity DataIC50:  7.75E+3nMAssay Description:Inhibition of human CYP2E1 expressed in insect microsome using 7-benzyloxyquinoline substrate after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50209505(CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...)
Affinity DataIC50:  1.47E+4nMAssay Description:Inhibition of human CYP2C19 expressed in insect microsome after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50209505(CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP2D6 expressed in insect microsome after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50209505(CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP2B6 expressed in insect microsome after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50209505(CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP2E1 expressed in insect microsome after 45 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50209505(CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...)
Affinity DataIC50:  2.08E+3nMAssay Description:Inhibition of human CYP2C9 expressed in insect microsome after 45 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM50209505(CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP1A2 expressed in insect microsome after 15 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed