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BDBM50465461 CHEMBL4289362

SMILES: [H][C@@]12C[C@@H](C)C[C@@]34[C@]([H])(CCC[N+]3([O-])CCC[C@@]14O)C(=O)C2

InChI Key: InChIKey=APTCUMFGOJPFRU-XUXGFYSXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50465461   
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


(Homo sapiens (Human))		BDBM50465461
PNG
(CHEMBL4289362)
Show SMILES [H][C@@]12C[C@@H](C)C[C@@]34[C@]([H])(CCC[N+]3([O-])CCC[C@@]14O)C(=O)C2 |r,TLB:4:3:17:19.21.7|
Show InChI InChI=1S/C16H25NO3/c1-11-8-12-9-14(18)13-4-2-6-17(20)7-3-5-16(12,19)15(13,17)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,15+,16-,17?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin)

J Nat Prod 81: 1143-1147 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00627
BindingDB Entry DOI: 10.7270/Q2MC92QN
More data for this
Ligand-Target Pair