BDBM50130922 CHEMBL3632941
SMILES: [H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)CC(=O)[C@H](O)C(C)(C)O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C
InChI Key: InChIKey=GHJSMGTZWLBPHU-DSAUVPRUSA-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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Bile acid receptor (Homo sapiens (Human)) | BDBM50130922 (CHEMBL3632941) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a |
Dalian Medical University Curated by ChEMBL | Assay Description Transactivation of FXR (unknown origin) transfected in HepG2 cells co-expressing pBSEP/pGL4.74 incubated for 24 hrs by luciferase reporter gene assay | Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111652 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cocaine esterase (Homo sapiens (Human)) | BDBM50130922 (CHEMBL3632941) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Liaoning University of Traditional Chinese Medicine Curated by ChEMBL | Assay Description Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assay | J Nat Prod 78: 2372-80 (2015) BindingDB Entry DOI: 10.7270/Q20K2BDR | |||||||||||
More data for this Ligand-Target Pair |