BDBM39347 CLOBETASOL PROPIONATE::MLS000028708::SMR000058745::cid_32798

SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl

InChI Key InChIKey=CBGUOGMQLZIXBE-XGQKBEPLSA-N

Data  11 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  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 7 hits for monomerid = 39347   

TargetCytochrome P450 3A5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataIC50:  21nMAssay Description:Inhibition of CYP3A5 in doxycycline-induced CYP3A5 overexpressing wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation us...More data for this Ligand-Target Pair
TargetCytochrome P450 3A5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataIC50:  103nMAssay Description:Inhibition of CYP3A5 in CRISPR/Cas9-mediated CYP3A5 knock-out and doxycycline-induced CYP3A5 overexpressing human AsPC1 cells assessed as decrease in...More data for this Ligand-Target Pair
TargetCytochrome P450 3A5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataIC50:  1.56E+4nMAssay Description:Inhibition of human recombinant CYP3A5 expressed in supersomes assessed as decrease in formation of D-luciferin using luciferin-IPA as substrate incu...More data for this Ligand-Target Pair
TargetCytochrome P450 3A5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataIC50:  44nMAssay Description:Inhibition of CYP3A5 in wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate after 24 hrs by...More data for this Ligand-Target Pair
TargetCytochrome P450 3A5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataKd:  100nMAssay Description:Binding affinity to heme in His-tagged CYP3A5 (unknown origin) expressed in Escherichia coli DH5alpha assessed as changes in absorbance spectra of he...More data for this Ligand-Target Pair
TargetCytochrome P450 3A5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataIC50:  78nMAssay Description:Inhibition of CYP3A5 in lentiviral pLVX-TRE3G-ZsGreen1-CYP3A5 transduced wild type human AsPC1 cells overexpressing CYP3A5 assessed as decrease in 1-...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataIC50:  206nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in supersomes assessed as decrease in formation of D-luciferin using luciferin-IPA as substrate incu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed