BDBM50501821 CHEMBL4582168

SMILES CCc1nc(-c2ncc(OC)cn2)n(n1)-c1cccc(c1)C(=O)NCCCCc1ccccc1

InChI Key InChIKey=AASLOEMOCBUITM-UHFFFAOYSA-N

Data  6 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50501821   

TargetCytochrome P450 2E1(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501821(CHEMBL4582168)
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 2B6(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501821(CHEMBL4582168)
Affinity DataIC50: 5.00E+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
TargetCytochrome P450 2C9(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501821(CHEMBL4582168)
Affinity DataIC50: 2.05E+4nMAssay 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 3A4(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501821(CHEMBL4582168)
Affinity DataIC50: 5.00E+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
TargetMyoferlin(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501821(CHEMBL4582168)
Affinity DataKd:  94nMAssay Description:Reversible binding affinity to recombinant human GST-tagged MYOF C2 domain (3445 to 3912 residues) expressed in Escherichia coli BL21 (DE3) by surfac...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
LigandPNGBDBM50501821(CHEMBL4582168)
Affinity DataIC50: 4.96E+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 1A2(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50501821(CHEMBL4582168)
Affinity DataIC50: 5.00E+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