BDBM50576968 CHEMBL4871524

SMILES C[C@]12CCC(=O)C=C1C[C@@H](/C=C/C=C/C=C/[C@@H]1CC3=CC(=O)CC[C@]3(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]13)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

InChI Key InChIKey=WQQGJRXOPNCMAT-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50576968   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50576968BDBM50576968(CHEMBL4871524)
Affinity DataKd:  1.40E+3nMAssay 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
PubMed
TargetCytochrome P450 3A4(Human)
University of Quebec at Trois-Rivieres

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50576968BDBM50576968(CHEMBL4871524)
Affinity DataIC50: 3.60E+3nMAssay 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
PubMed