BDBM50576969 CHEMBL4863362

SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C\C=C/C[C@@H]2CC3=CC(=O)CC[C@]3(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]23[H])CC2=CC(=O)CC[C@]12C

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 DepthDetails 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)