BDBM50508727 (+)-Aromoline::CHEMBL508781
SMILES: [H][C@@]12Cc3ccc(O)c(Oc4ccc(C[C@]5([H])N(C)CCc6cc(OC)c(O)c(Oc7cc1c(CCN2C)cc7OC)c56)cc4)c3
InChI Key: InChIKey=LFFQVHXIFJLJSP-IZLXSDGUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50508727![]() ((+)-Aromoline | CHEMBL508781) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 6.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University Curated by ChEMBL | Assay Description Mixed-type inhibition of human BuChE assessed as enzyme-inhibitor complex using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analys... | J Nat Prod 82: 239-248 (2019) Article DOI: 10.1021/acs.jnatprod.8b00592 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50508727![]() ((+)-Aromoline | CHEMBL508781) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 3.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University Curated by ChEMBL | Assay Description Mixed-type inhibition of human BuChE assessed as enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrate by Lineweaver-Burk p... | J Nat Prod 82: 239-248 (2019) Article DOI: 10.1021/acs.jnatprod.8b00592 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50508727![]() ((+)-Aromoline | CHEMBL508781) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University Curated by ChEMBL | Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by Ellman's method | J Nat Prod 82: 239-248 (2019) Article DOI: 10.1021/acs.jnatprod.8b00592 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prolyl endopeptidase (Homo sapiens (Human)) | BDBM50508727![]() ((+)-Aromoline | CHEMBL508781) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.89E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University Curated by ChEMBL | Assay Description Inhibition of POP (unknown origin) using (Z)-Gly-Pro-p-nitroanilide as substrate preincubated for 5 mins followed by substrate addition and measured ... | J Nat Prod 82: 239-248 (2019) Article DOI: 10.1021/acs.jnatprod.8b00592 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50508727![]() ((+)-Aromoline | CHEMBL508781) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University Curated by ChEMBL | Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by Ellman's method | J Nat Prod 82: 239-248 (2019) Article DOI: 10.1021/acs.jnatprod.8b00592 | |||||||||||
More data for this Ligand-Target Pair |