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BDBM50417094 CHEMBL1255907

SMILES: O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2

InChI Key: InChIKey=JEPJAGMRBZWMCT-ZDUSSCGKSA-N

Data: 2 KI  1 Kd

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 3 hits for monomerid = 50417094   
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
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50417094
PNG
(CHEMBL1255907)
Show SMILES O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:10.10,THB:9:10:13.14:17.16,(28.34,-18.07,;28.36,-16.53,;29.7,-15.78,;31.03,-16.57,;31,-18.11,;32.33,-18.9,;33.67,-18.14,;33.69,-16.6,;32.37,-15.81,;27.03,-15.74,;25.69,-16.5,;25.5,-17.88,;23.96,-17.23,;22.59,-17.86,;22.87,-16.46,;24.22,-15.86,;24.15,-14.21,;23.7,-15.32,)|
Show InChI InChI=1S/C14H18N2O2/c17-14(15-12-4-2-1-3-5-12)18-13-10-16-8-6-11(13)7-9-16/h1-5,11,13H,6-10H2,(H,15,17)/t13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.95E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50417094
PNG
(CHEMBL1255907)
Show SMILES O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:10.10,THB:9:10:13.14:17.16,(28.34,-18.07,;28.36,-16.53,;29.7,-15.78,;31.03,-16.57,;31,-18.11,;32.33,-18.9,;33.67,-18.14,;33.69,-16.6,;32.37,-15.81,;27.03,-15.74,;25.69,-16.5,;25.5,-17.88,;23.96,-17.23,;22.59,-17.86,;22.87,-16.46,;24.22,-15.86,;24.15,-14.21,;23.7,-15.32,)|
Show InChI InChI=1S/C14H18N2O2/c17-14(15-12-4-2-1-3-5-12)18-13-10-16-8-6-11(13)7-9-16/h1-5,11,13H,6-10H2,(H,15,17)/t13-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.94E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50417094
PNG
(CHEMBL1255907)
Show SMILES O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:10.10,THB:9:10:13.14:17.16,(28.34,-18.07,;28.36,-16.53,;29.7,-15.78,;31.03,-16.57,;31,-18.11,;32.33,-18.9,;33.67,-18.14,;33.69,-16.6,;32.37,-15.81,;27.03,-15.74,;25.69,-16.5,;25.5,-17.88,;23.96,-17.23,;22.59,-17.86,;22.87,-16.46,;24.22,-15.86,;24.15,-14.21,;23.7,-15.32,)|
Show InChI InChI=1S/C14H18N2O2/c17-14(15-12-4-2-1-3-5-12)18-13-10-16-8-6-11(13)7-9-16/h1-5,11,13H,6-10H2,(H,15,17)/t13-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.95E+4n/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair