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BDBM50312896 3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alpha-hexahydropyrrolo[2,3-b]indol-5-ylbiphenyl-4-ylcarbamate::CHEMBL1081433

SMILES: CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc(cc3)-c3ccccc3)ccc12

InChI Key: InChIKey=FPOQWEVPCLQMKQ-WEZIJMHWSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50312896   
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))
BDBM50312896
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc(cc3)-c3ccccc3)ccc12
Show InChI InChI=1S/C33H33N3O2/c1-33-20-22-36(21-19-24-9-5-3-6-10-24)31(33)35(2)30-18-17-28(23-29(30)33)38-32(37)34-27-15-13-26(14-16-27)25-11-7-4-8-12-25/h3-18,23,31H,19-22H2,1-2H3,(H,34,37)/t31-,33-/m0/s1
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MMDB

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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))
BDBM50312896
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc(cc3)-c3ccccc3)ccc12
Show InChI InChI=1S/C33H33N3O2/c1-33-20-22-36(21-19-24-9-5-3-6-10-24)31(33)35(2)30-18-17-28(23-29(30)33)38-32(37)34-27-15-13-26(14-16-27)25-11-7-4-8-12-25/h3-18,23,31H,19-22H2,1-2H3,(H,34,37)/t31-,33-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.10E+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