BindingDB logo
myBDB logout

null

SMILES: Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCNC(=O)CCCCC1CCSS1

InChI Key: InChIKey=VAVMWACIIVWIPI-WCTVFOPTSA-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 2 hits for monomerid = 50261343   
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))
BDBM50261343
PNG
(CHEMBL466146 | N-(4-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C26H37ClN4OS2/c27-20-12-13-22-23(19-20)30-24-10-8-17-31(24)26(22)29-16-7-3-1-2-6-15-28-25(32)11-5-4-9-21-14-18-33-34-21/h12-13,19,21H,1-11,14-18H2,(H,28,32)/b29-26-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.94E+3n/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))
BDBM50261343
PNG
(CHEMBL466146 | N-(4-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C26H37ClN4OS2/c27-20-12-13-22-23(19-20)30-24-10-8-17-31(24)26(22)29-16-7-3-1-2-6-15-28-25(32)11-5-4-9-21-14-18-33-34-21/h12-13,19,21H,1-11,14-18H2,(H,28,32)/b29-26-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/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