BDBM50380526 CHEMBL2018912

SMILES COc1ccc2nc(SCC3CCCCC3)[nH]c2c1

InChI Key InChIKey=CXDABZKLWORATA-UHFFFAOYSA-N

Data  1 KI  8 IC50

  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 9 hits for monomerid = 50380526   

TargetCytochrome P450 2C19(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50380526(CHEMBL2018912)
Affinity DataKi:  140nMAssay Description:Inhibition of recombinant CYP2C19 using 3-O-methylfluorescein as substrate preincubated for 3 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50380526(CHEMBL2018912)
Affinity DataIC50:  5.00E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50380526(CHEMBL2018912)
Affinity DataIC50:  6.23E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50380526(CHEMBL2018912)
Affinity DataIC50:  5.11E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50380526(CHEMBL2018912)
Affinity DataIC50:  5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50380526(CHEMBL2018912)
Affinity DataIC50:  2.67E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin preincubated for 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50380526(CHEMBL2018912)
Affinity DataIC50:  5.91E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-mpheytoin as substrate preincubated for 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50380526(CHEMBL2018912)
Affinity DataIC50:  4.41E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50380526(CHEMBL2018912)
Affinity DataIC50:  2.14E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed