BindingDB logo
myBDB logout

null

SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)[C@@H](CO)CC[C@H]1O2

InChI Key: InChIKey=CAKPDQJXCRCUCR-FTQJZPFOSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50241739   
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))		BDBM50241739
PNG
((1R,4R,5R,8S,9S)-4,5-epoxycaryophyllan-13-ol | CHE...)
Show SMILES C[C@@]12CC[C@@H]3[C@H](CC3(C)C)[C@@H](CO)CC[C@H]1O2 |r|
Show InChI InChI=1S/C15H26O2/c1-14(2)8-11-10(9-16)4-5-13-15(3,17-13)7-6-12(11)14/h10-13,16H,4-9H2,1-3H3/t10-,11-,12-,13-,15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.64E+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