BDBM50375599 DEOXYCHOLATE::Deoxycholic Acid::KYBELLA

SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

InChI Key InChIKey=KXGVEGMKQFWNSR-UHFFFAOYSA-N

Data  3 KI  2 IC50  2 Kd  4 EC50

  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 11 hits for monomerid = 50375599   

TargetVitamin D3 receptor(Human)
University of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50375599(Deoxycholic Acid | DEOXYCHOLATE | KYBELLA)
Affinity DataIC50: 5.00E+4nMAssay Description:Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
University of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50375599(Deoxycholic Acid | DEOXYCHOLATE | KYBELLA)
Affinity DataEC50: >1.50E+5nMAssay Description:Agonist activity at VDR-LBD (unknown origin) expressed in Escherichia coli assessed as SRC2-3 coactivator peptide recruitment after 30 mins by fluore...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
University of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50375599(Deoxycholic Acid | DEOXYCHOLATE | KYBELLA)
Affinity DataIC50: 1.50E+5nMAssay Description:Antagonist activity against VDR-LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of VDR agonist LG190178-induced SRC2-3 coac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
University of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50375599(Deoxycholic Acid | DEOXYCHOLATE | KYBELLA)
Affinity DataEC50: >1.50E+5nMAssay Description:Agonist activity at VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as SRC1 coactivator peptide recruitment after 16 hrs by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetSteroid Delta-isomerase(Pseudomonas putida (g-Proteobacteria))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50375599(Deoxycholic Acid | DEOXYCHOLATE | KYBELLA)
Affinity DataKd:  1.60E+4nMAssay Description:Binding affinity to Pseudomonas putida KSI by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSteroid Delta-isomerase(Pseudomonas putida (g-Proteobacteria))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50375599(Deoxycholic Acid | DEOXYCHOLATE | KYBELLA)
Affinity DataKd:  1.60E+4nMAssay Description:Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
Centre National de la Recherche Scientifique/INSERM/ULP

Curated by ChEMBL
LigandPNGBDBM50375599(Deoxycholic Acid | DEOXYCHOLATE | KYBELLA)
Affinity DataEC50:  1.25E+3nMAssay Description:Agonist activity at human TGR5 expressed in CHO cells by luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetBile acid receptor(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50375599(Deoxycholic Acid | DEOXYCHOLATE | KYBELLA)
Affinity DataEC50:  4.50E+4nMAssay Description:Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment after 30 mins by Alpha Screen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2020
Entry Details Article
PubMed
TargetIleal sodium/bile acid cotransporter(Human)
Wake Forest University

Curated by ChEMBL
LigandPNGBDBM50375599(Deoxycholic Acid | DEOXYCHOLATE | KYBELLA)
Affinity DataKi:  6.30E+3nMAssay Description:TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetIleal sodium/bile acid cotransporter(Human)
Wake Forest University

Curated by ChEMBL
LigandPNGBDBM50375599(Deoxycholic Acid | DEOXYCHOLATE | KYBELLA)
Affinity DataKi:  6.30E+3nMAssay Description:TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member(Zebrafish)
Rudjer Boskovic Institute

LigandPNGBDBM50375599(Deoxycholic Acid | DEOXYCHOLATE | KYBELLA)
Affinity DataKi:  9.94E+3nMAssay Description:In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2017
Entry Details Article
PubMed