BDBM50501822 CHEMBL4587127

SMILES COc1ccc(cc1)-n1nc(C)nc1-c1cccc(c1)C(=O)NCCCCc1ccccc1

InChI Key InChIKey=KWXIDOJDCVMSLW-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50501822   

TargetCytochrome P450 1A2(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501822(CHEMBL4587127)
Affinity DataIC50: 1.69E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH-generating system addition and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501822(CHEMBL4587127)
Affinity DataIC50: 3.38E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate preincubated for 5 mins followed by NADPH-generating system addition an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501822(CHEMBL4587127)
Affinity DataIC50: 3.81E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using tolbutamide as substrate preincubated for 5 mins followed by NADPH-generating system addition an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501822(CHEMBL4587127)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by NADPH-generating system addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501822(CHEMBL4587127)
Affinity DataIC50: 3.77E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH-generating system addition and ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501822(CHEMBL4587127)
Affinity DataIC50: 2.36E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by NADPH-generating system addition and ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed