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BDBM50399789 CHEMBL2179865

SMILES: Brc1ccoc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1

InChI Key: InChIKey=OMWGGOLZZXEWQY-JKSUJKDBSA-N

Data: 2 KI  1 EC50

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 = 50399789   
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 protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399789
PNG
(CHEMBL2179865)
Show SMILES Brc1ccoc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C18H20BrN3O2/c19-14-5-9-24-17(14)18(23)21-16-13-3-7-22(8-4-13)15(16)10-12-2-1-6-20-11-12/h1-2,5-6,9,11,13,15-16H,3-4,7-8,10H2,(H,21,23)/t15-,16+/m0/s1
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Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399789
PNG
(CHEMBL2179865)
Show SMILES Brc1ccoc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C18H20BrN3O2/c19-14-5-9-24-17(14)18(23)21-16-13-3-7-22(8-4-13)15(16)10-12-2-1-6-20-11-12/h1-2,5-6,9,11,13,15-16H,3-4,7-8,10H2,(H,21,23)/t15-,16+/m0/s1
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MMDB

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PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399789
PNG
(CHEMBL2179865)
Show SMILES Brc1ccoc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C18H20BrN3O2/c19-14-5-9-24-17(14)18(23)21-16-13-3-7-22(8-4-13)15(16)10-12-2-1-6-20-11-12/h1-2,5-6,9,11,13,15-16H,3-4,7-8,10H2,(H,21,23)/t15-,16+/m0/s1
PDB

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PC sid
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Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair