BDBM50375599 DEOXYCHOLATE::Deoxycholic Acid::KYBELLA

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

InChI Key InChIKey=KXGVEGMKQFWNSR-LLQZFEROSA-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   

TargetIleal sodium/bile acid cotransporter(Homo sapiens (Human))
Wake Forest University

Curated by ChEMBL
LigandPNGBDBM50375599(DEOXYCHOLATE | Deoxycholic Acid | 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 DepthDetails ArticlePubMed
TargetIleal sodium/bile acid cotransporter(Homo sapiens (Human))
Wake Forest University

Curated by ChEMBL
LigandPNGBDBM50375599(DEOXYCHOLATE | Deoxycholic Acid | 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 DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member(Danio rerio (Zebrafish))
Rudjer Boskovic Institute

LigandPNGBDBM50375599(DEOXYCHOLATE | Deoxycholic Acid | 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 DepthDetails ArticlePubMed
TargetVitamin D3 receptor(Homo sapiens (Human))
University Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50375599(DEOXYCHOLATE | Deoxycholic Acid | 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 DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM50375599(DEOXYCHOLATE | Deoxycholic Acid | 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 DepthDetails ArticlePubMed
TargetSteroid Delta-isomerase(Pseudomonas putida)
The University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50375599(DEOXYCHOLATE | Deoxycholic Acid | KYBELLA)
Affinity DataKd:  1.60E+4nMAssay Description:Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Centre National de la Recherche Scientifique/INSERM/ULP

Curated by ChEMBL
LigandPNGBDBM50375599(DEOXYCHOLATE | Deoxycholic Acid | 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 DepthDetails ArticlePubMed
TargetVitamin D3 receptor(Homo sapiens (Human))
University Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50375599(DEOXYCHOLATE | Deoxycholic Acid | KYBELLA)
Affinity DataIC50: >1.50E+5nMAssay Description:Agonist activity at human VP16 tagged-VDR-LBD after 16 hrs by luciferase reporter gene based transcription assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin D3 receptor(Homo sapiens (Human))
University Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50375599(DEOXYCHOLATE | Deoxycholic Acid | KYBELLA)
Affinity DataEC50: >1.50E+5nMAssay 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 DepthDetails ArticlePubMed
TargetVitamin D3 receptor(Homo sapiens (Human))
University Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50375599(DEOXYCHOLATE | Deoxycholic Acid | 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 DepthDetails ArticlePubMed
TargetSteroid Delta-isomerase(Pseudomonas putida)
The University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50375599(DEOXYCHOLATE | Deoxycholic Acid | 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 DepthDetails ArticlePubMedDrugBank