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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50117583'   
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
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117583
PNG
(1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylmethyl)-...)
Show InChI InChI=1S/C25H32NO3/c1-26(17-19-7-5-4-6-8-19)11-9-18(10-12-26)13-21-14-20-15-23(28-2)24(29-3)16-22(20)25(21)27/h4-8,15-16,18,21H,9-14,17H2,1-3H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 25n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant AChE.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117583
PNG
(1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylmethyl)-...)
Show InChI InChI=1S/C25H32NO3/c1-26(17-19-7-5-4-6-8-19)11-9-18(10-12-26)13-21-14-20-15-23(28-2)24(29-3)16-22(20)25(21)27/h4-8,15-16,18,21H,9-14,17H2,1-3H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 100n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Citation and Details
More data for this
Ligand-Target Pair