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.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 39347   

TargetGenome polyprotein(West Nile virus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataIC50: >5.00E+4nMAssay Description:The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBile salt export pump(Rattus norvegicus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataIC50:  8.50E+3nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucocorticoid receptor(RAT)
Mitsubishi Kasei

Curated by ChEMBL
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataIC50:  3.20nMAssay Description:Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosolMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM39347(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Affinity DataIC50:  8.50E+3nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf21 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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