BDBM50242346 CHEMBL500603::[(20S)-20-(N-methylamino)-3beta-(tigloylamino)-5alpha-pregn-16-en-2 beta,4 beta-diacetate]
SMILES: CN[C@@H](C)C1=CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](NC(=O)C(\C)=C\C)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
InChI Key: InChIKey=RDGDPUWHVFLIIR-MIFLDMCISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50242346 (CHEMBL500603 | [(20S)-20-(N-methylamino)-3beta-(ti...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tribhuvan University Curated by ChEMBL | Assay Description Inhibition of horse BChE | J Nat Prod 64: 842-4 (2001) BindingDB Entry DOI: 10.7270/Q20R9P54 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50242346 (CHEMBL500603 | [(20S)-20-(N-methylamino)-3beta-(ti...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tribhuvan University Curated by ChEMBL | Assay Description Inhibition of electric eel AChE by Ellman's method | J Nat Prod 64: 842-4 (2001) BindingDB Entry DOI: 10.7270/Q20R9P54 | |||||||||||
More data for this Ligand-Target Pair |