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SMILES: NCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12

InChI Key: InChIKey=YFZCRTGOTFAQNL-MNDPQUGUSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50261289   
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


(Electrophorus electricus (Electric eel))
BDBM50261289
PNG
(CHEMBL468644 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C16H21ClN4/c17-12-6-7-13-14(11-12)20-15-5-4-10-21(15)16(13)19-9-3-1-2-8-18/h6-7,11H,1-5,8-10,18H2/b19-16-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 166n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay


Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50261289
PNG
(CHEMBL468644 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C16H21ClN4/c17-12-6-7-13-14(11-12)20-15-5-4-10-21(15)16(13)19-9-3-1-2-8-18/h6-7,11H,1-5,8-10,18H2/b19-16-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay


Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair