BindingDB logo
myBDB logout

BDBM50312888 3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alpha-hexahydropyrrolo[2,3-b]indol-5-yl4-(hexyloxy)phenylcarbamate::CHEMBL1081457

SMILES: CCCCCCOc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1

InChI Key: InChIKey=GOORNMPSDKZVPT-WEZIJMHWSA-N

Data: 2 IC50

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 = 50312888   
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


(Mus musculus (mouse))
BDBM50312888
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CCCCCCOc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C33H41N3O3/c1-4-5-6-10-23-38-27-15-13-26(14-16-27)34-32(37)39-28-17-18-30-29(24-28)33(2)20-22-36(31(33)35(30)3)21-19-25-11-8-7-9-12-25/h7-9,11-18,24,31H,4-6,10,19-23H2,1-3H3,(H,34,37)/t31-,33-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE after 1 hr by modified Ellman's colorimetric method


Bioorg Med Chem Lett 20: 1721-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50312888
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CCCCCCOc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C33H41N3O3/c1-4-5-6-10-23-38-27-15-13-26(14-16-27)34-32(37)39-28-17-18-30-29(24-28)33(2)20-22-36(31(33)35(30)3)21-19-25-11-8-7-9-12-25/h7-9,11-18,24,31H,4-6,10,19-23H2,1-3H3,(H,34,37)/t31-,33-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


Bioorg Med Chem Lett 20: 1721-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW
More data for this
Ligand-Target Pair