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BDBM50412088 2,3-EPOXYTERRITREM B

SMILES: COc1cc(cc(OC)c1OC)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)[C@@H]5O[C@@H]5C(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1

InChI Key: InChIKey=ZNQDSYLSZDFTOZ-GEGISWJQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50412088   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50412088
PNG
(2,3-EPOXYTERRITREM B)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)[C@@H]5O[C@@H]5C(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1
Show InChI InChI=1S/C29H34O10/c1-25(2)23-21(38-23)22(30)27(4)28(25,32)9-8-26(3)29(27,33)13-15-17(39-26)12-16(37-24(15)31)14-10-18(34-5)20(36-7)19(11-14)35-6/h10-12,21,23,32-33H,8-9,13H2,1-7H3/t21-,23-,26-,27+,28-,29-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Nat Prod 58: 857-862 (1995)


Article DOI: 10.1021/np50120a006
BindingDB Entry DOI: 10.7270/Q22N53HN
More data for this
Ligand-Target Pair