BDBM50019649 CHEMBL3291398

SMILES C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C

InChI Key InChIKey=KPVIXBKIJXZQJX-UHFFFAOYSA-N

Data  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50019649   

TargetCytochrome P450 2D6(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
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 3A4(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
Affinity DataIC50: 4.65E+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
LigandPNGBDBM50019649(CHEMBL3291398)
Affinity DataIC50: 4.43E+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 1A2(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
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 2C9(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
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
TargetCytochrome P450 2C19(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
Affinity DataIC50: 2.50E+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
TargetATP-dependent translocase ABCB1(Human)
University of Southern Denmark

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
Affinity DataIC50: 3.41E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed