BDBM50242278 CHEMBL506069::Geraniin::geraniiin
SMILES: Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]3[C@@H]2OC(=O)C2=CC(=O)[C@]4(O)Oc5c(O)c(O)cc(c5[C@H]2C4(O)O)C(=O)O[C@@H]13
InChI Key: InChIKey=JQQBXPCJFAKSPG-SVYIMCMUSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50242278 (CHEMBL506069 | Geraniin | geraniiin) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of ACE by fluorometric assay | J Nat Prod 51: 357-359 (1988) Article DOI: 10.1021/np50056a033 BindingDB Entry DOI: 10.7270/Q2XW4M1C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Squalene monooxygenase (Rattus norvegicus) | BDBM50242278 (CHEMBL506069 | Geraniin | geraniiin) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Shizuoka Curated by ChEMBL | Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia... | J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03 | |||||||||||
More data for this Ligand-Target Pair |