BDBM50019591 CHEMBL3291394

SMILES [H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1cncc(NC(=O)CN2CCCC(O)C2)c1

InChI Key InChIKey=UCALKYGDSCLCAF-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50019591   

TargetCytochrome P450 3A4(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019591(CHEMBL3291394)
Affinity DataIC50: 1.08E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/11/2015
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019591(CHEMBL3291394)
Affinity DataIC50: 1.24E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/11/2015
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019591(CHEMBL3291394)
Affinity DataIC50: 1.24E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/11/2015
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019591(CHEMBL3291394)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/11/2015
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019591(CHEMBL3291394)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/11/2015
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019591(CHEMBL3291394)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/11/2015
Entry Details Article
PubMed