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SMILES: CC1(C)C[C@H]2[C@H]1CC[C@]1(C)[C@H](O)CC[C@@]2(O)[C@H]1O

InChI Key: InChIKey=ZNZACRWMACXOCV-NJTCAMEISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50241740   
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
Cholinesterase


(Equus caballus (Horse))
BDBM50241740
PNG
((1R,4R,5R,8S, 9S,13S)-caryolane-5,8,13-triol | CHE...)
Show SMILES CC1(C)C[C@H]2[C@H]1CC[C@]1(C)[C@H](O)CC[C@@]2(O)[C@H]1O |r,TLB:17:16:13.12.10:7.6.4.5|
Show InChI InChI=1S/C15H26O3/c1-13(2)8-10-9(13)4-6-14(3)11(16)5-7-15(10,18)12(14)17/h9-12,16-18H,4-8H2,1-3H3/t9-,10+,11-,12+,14-,15+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.36E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by Ellman's method


J Nat Prod 69: 1429-34 (2006)


Article DOI: 10.1021/np0680174
BindingDB Entry DOI: 10.7270/Q2CN73N0
More data for this
Ligand-Target Pair