BDBM50380531 CHEMBL2018917

SMILES COc1ccc2nc(SCc3ccc(cc3)C(C)C)[nH]c2c1

InChI Key InChIKey=OLVGVEZGCNJPGR-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 = 50380531   

TargetCytochrome P450 2C9(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50380531(CHEMBL2018917)
Affinity DataIC50: 3.42E+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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50380531(CHEMBL2018917)
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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50380531(CHEMBL2018917)
Affinity DataIC50: 8.34E+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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50380531(CHEMBL2018917)
Affinity DataIC50: 1.44E+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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50380531(CHEMBL2018917)
Affinity DataIC50: 40nMAssay 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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50380531(CHEMBL2018917)
Affinity DataIC50: 2.05E+3nMAssay 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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50380531(CHEMBL2018917)
Affinity DataIC50: 1.48E+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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50380531(CHEMBL2018917)
Affinity DataIC50: 5.00E+4nMAssay 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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50380531(CHEMBL2018917)
Affinity DataKi:  40nMAssay Description:Inhibition of recombinant CYP2C19 using 3-O-methylfluorescein as substrate preincubated for 3 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed