BDBM50286760 CHEMBL4170032
SMILES: CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1
InChI Key: InChIKey=VZAVDSHZLZPBFD-HKBQPEDESA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bile acid receptor FXR (Homo sapiens (Human)) | BDBM50286760![]() (CHEMBL4170032) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Hiroshima International University Curated by ChEMBL | Assay Description Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment... | ACS Med Chem Lett 9: 78-83 (2018) Article DOI: 10.1021/acsmedchemlett.7b00363 BindingDB Entry DOI: 10.7270/Q2GQ7199 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile acid receptor FXR (Homo sapiens (Human)) | BDBM50286760![]() (CHEMBL4170032) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Hiroshima International University Curated by ChEMBL | Assay Description Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment... | Bioorg Med Chem 27: 2220-2227 (2019) Article DOI: 10.1016/j.bmc.2019.04.029 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile acid receptor FXR (Homo sapiens (Human)) | BDBM50286760![]() (CHEMBL4170032) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <0.00100 | n/a | n/a | n/a | n/a | n/a | n/a |
Hiroshima International University Curated by ChEMBL | Assay Description Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after... | Bioorg Med Chem 27: 2220-2227 (2019) Article DOI: 10.1016/j.bmc.2019.04.029 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile acid receptor (Homo sapiens (Human)) | BDBM50286760![]() (CHEMBL4170032) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <0.00100 | n/a | n/a | n/a | n/a | n/a | n/a |
Hiroshima International University Curated by ChEMBL | Assay Description Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment... | ACS Med Chem Lett 9: 78-83 (2018) Article DOI: 10.1021/acsmedchemlett.7b00363 BindingDB Entry DOI: 10.7270/Q2GQ7199 | |||||||||||
More data for this Ligand-Target Pair |