BDBM50534425 CHEMBL4541225

SMILES C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F

InChI Key InChIKey=ZUNJWALIUFZGCH-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50534425   

TargetCytochrome P450 1A2(Human)
Roche Innovation Center Shanghai

Curated by ChEMBL
LigandPNGBDBM50534425(CHEMBL4541225)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Roche Innovation Center Shanghai

Curated by ChEMBL
LigandPNGBDBM50534425(CHEMBL4541225)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Roche Innovation Center Shanghai

Curated by ChEMBL
LigandPNGBDBM50534425(CHEMBL4541225)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Roche Innovation Center Shanghai

Curated by ChEMBL
LigandPNGBDBM50534425(CHEMBL4541225)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Roche Innovation Center Shanghai

Curated by ChEMBL
LigandPNGBDBM50534425(CHEMBL4541225)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed