BDBM50335592 CHEMBL1651048::Cyclobuxophylline K
SMILES: CC=C1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](N(C)C)C4(C)C
InChI Key: InChIKey=HHRXHLXZXPRKOE-QPVSRNMUSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50335592 (CHEMBL1651048 | Cyclobuxophylline K) | 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 | 5.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Winnipeg Curated by ChEMBL | Assay Description Inhibition of AChE by Ellman's method | J Nat Prod 73: 1858-62 (2010) Article DOI: 10.1021/np100494u BindingDB Entry DOI: 10.7270/Q2TM7BC0 | |||||||||||
More data for this Ligand-Target Pair |