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BDBM50313195 1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahydropyrrolo[2,3-b]indol-5-yl-cyclohexylcarbamate::CHEMBL1080692

SMILES: CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NC3CCCCC3)cc21

InChI Key: InChIKey=BWVWQXWHXUEKMM-QUCCMNQESA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50313195   
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
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50313195
PNG
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NC3CCCCC3)cc21 |r|
Show InChI InChI=1S/C20H29N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h9-10,13-14,18H,4-8,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50313195
PNG
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NC3CCCCC3)cc21 |r|
Show InChI InChI=1S/C20H29N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h9-10,13-14,18H,4-8,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV
More data for this
Ligand-Target Pair