BDBM50576969 CHEMBL4863362

SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=CC(=O)CC[C@]34C)C/C=C\C[C@@H]5CC6=CC(=O)CC[C@@]6([C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)O)C

InChI Key InChIKey=FKJMMUCCAVJSJW-UHFFFAOYSA-N

Data  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50576969   

TargetCytochrome P450 3A4(Human)
University of Quebec at Trois-Rivieres

Curated by ChEMBL
LigandPNGBDBM50576969(CHEMBL4863362)
Affinity DataKd:  370nMAssay Description:Inhibition of human CYP3A4 assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
University of Quebec at Trois-Rivieres

Curated by ChEMBL
LigandPNGBDBM50576969(CHEMBL4863362)
Affinity DataIC50: 800nMAssay Description:Inhibition of recombinant human CYP3A4 using BFC as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)