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BDBM50380198 BONANNIONE A
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1
InChI Key: InChIKey=XYIQIBWIEGCVQY-RWHUQTJRSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM50380198 (BONANNIONE A) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem Similars | Article PubMed | 2.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Gyeongsang National University Curated by ChEMBL | Assay Description Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis | Bioorg Med Chem 20: 2595-602 (2012) Article DOI: 10.1016/j.bmc.2012.02.044 BindingDB Entry DOI: 10.7270/Q22808MC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Acetylcholinesterase (Homo sapiens (Human)) | BDBM50380198 (BONANNIONE A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.21E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Gyeongsang National University Curated by ChEMBL | Assay Description Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ... | Bioorg Med Chem 20: 2595-602 (2012) Article DOI: 10.1016/j.bmc.2012.02.044 BindingDB Entry DOI: 10.7270/Q22808MC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human)) | BDBM50380198 (BONANNIONE A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Czech Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured a... | J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50380198 (BONANNIONE A) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Czech Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured... | J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Acetylcholinesterase (Homo sapiens (Human)) | BDBM50380198 (BONANNIONE A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Gyeongsang National University Curated by ChEMBL | Assay Description Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry | Bioorg Med Chem 20: 2595-602 (2012) Article DOI: 10.1016/j.bmc.2012.02.044 BindingDB Entry DOI: 10.7270/Q22808MC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM50380198 (BONANNIONE A) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Gyeongsang National University Curated by ChEMBL | Assay Description Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry | Bioorg Med Chem 20: 2595-602 (2012) Article DOI: 10.1016/j.bmc.2012.02.044 BindingDB Entry DOI: 10.7270/Q22808MC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
