BDBM50519822 CHEMBL4454363

SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H](CCC2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1

InChI Key InChIKey=CCBDODXUUBASPL-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50519822   

TargetCytochrome P450 3A4(Human)
Max Planck Institute of Psychiatry

Curated by ChEMBL
LigandPNGBDBM50519822(CHEMBL4454363)
Affinity DataIC50: 8.40E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Human)
Max Planck Institute of Psychiatry

Curated by ChEMBL
LigandPNGBDBM50519822(CHEMBL4454363)
Affinity DataKi:  810nMAssay Description:Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed