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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterases; ACHE & BCHE' and Ligand = 'BDBM50008557'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50008557
PNG
(5-Isopropoxy-6-methoxy-2-methyl-indan-1-one | CHEM...)
Show SMILES COc1cc2C(=O)C(C)Cc2cc1OC(C)C
Show InChI InChI=1S/C14H18O3/c1-8(2)17-13-6-10-5-9(3)14(15)11(10)7-12(13)16-4/h6-9H,5H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair