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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Ileal bile acid transporter/bile acid cotransporter (Homo sapiens (Human)) | BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wake Forest University Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells | Am J Physiol 274: 157-69 (1998) Article DOI: 10.1152/ajpgi.1998.274.1.G157 BindingDB Entry DOI: 10.7270/Q2B859C1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ileal bile acid transporter/bile acid cotransporter (Homo sapiens (Human)) | BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wake Forest University Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells | Am J Physiol 274: 157-69 (1998) Article DOI: 10.1152/ajpgi.1998.274.1.G157 BindingDB Entry DOI: 10.7270/Q2B859C1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Organic anion-transporting polypeptide 1D1 (Oatp1d1) (Danio rerio (Zebrafish)) | BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) | GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | 9.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rudjer Boskovic Institute | Assay 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... | J Biol Chem 288: 33894-911 (2013) Article DOI: 10.1074/jbc.M113.518506 BindingDB Entry DOI: 10.7270/Q29Z93RK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a |
University of Wisconsin Curated by ChEMBL | Assay Description Agonist activity at VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as SRC1 coactivator peptide recruitment after 16 hrs by ... | Eur J Med Chem 109: 238-46 (2016) BindingDB Entry DOI: 10.7270/Q21N82ZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile acid receptor FXR (Homo sapiens (Human)) | BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a |
University of Perugia Curated by ChEMBL | Assay Description Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment after 30 mins by Alpha Screen assay | Eur J Med Chem 144: 349-358 (2018) Article DOI: 10.1016/j.ejmech.2017.12.034 BindingDB Entry DOI: 10.7270/Q2R213XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid Delta-isomerase (Pseudomonas putida) | BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | DrugBank Article PubMed | n/a | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry | J Med Chem 56: 2155-9 (2013) Article DOI: 10.1021/jm301603n BindingDB Entry DOI: 10.7270/Q2PR7X98 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein coupled bile acid receptor 1 (Homo sapiens (Human)) | BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Agonist activity at human TGR5 expressed in CHO cells by luciferase assay | J Med Chem 51: 1831-41 (2008) Article DOI: 10.1021/jm7015864 BindingDB Entry DOI: 10.7270/Q2222VNJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin Curated by ChEMBL | Assay Description Agonist activity at human VP16 tagged-VDR-LBD after 16 hrs by luciferase reporter gene based transcription assay | Eur J Med Chem 109: 238-46 (2016) BindingDB Entry DOI: 10.7270/Q21N82ZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a |
University of Wisconsin Curated by ChEMBL | Assay Description Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induce... | Eur J Med Chem 109: 238-46 (2016) BindingDB Entry DOI: 10.7270/Q21N82ZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin Curated by ChEMBL | Assay Description Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induce... | Eur J Med Chem 109: 238-46 (2016) BindingDB Entry DOI: 10.7270/Q21N82ZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid Delta-isomerase (Pseudomonas putida) | BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | DrugBank Article PubMed | n/a | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Binding affinity to Pseudomonas putida KSI by surface plasmon resonance analysis | J Med Chem 56: 2155-9 (2013) Article DOI: 10.1021/jm301603n BindingDB Entry DOI: 10.7270/Q2PR7X98 | |||||||||||
More data for this Ligand-Target Pair |