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BDBM50399772 CHEMBL2179882

SMILES: COc1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1

InChI Key: InChIKey=SLALSTOEQACNCW-GHTZIAJQSA-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50399772   
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))
BDBM50399772
PNG
(CHEMBL2179882)
Show SMILES COc1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C23H25N3O3/c1-28-19-6-2-5-17-13-20(29-22(17)19)23(27)25-21-16-7-10-26(11-8-16)18(21)12-15-4-3-9-24-14-15/h2-6,9,13-14,16,18,21H,7-8,10-12H2,1H3,(H,25,27)/t18-,21+/m0/s1
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Article
PubMed
5.90n/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))
BDBM50399772
PNG
(CHEMBL2179882)
Show SMILES COc1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C23H25N3O3/c1-28-19-6-2-5-17-13-20(29-22(17)19)23(27)25-21-16-7-10-26(11-8-16)18(21)12-15-4-3-9-24-14-15/h2-6,9,13-14,16,18,21H,7-8,10-12H2,1H3,(H,25,27)/t18-,21+/m0/s1
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antibodypedia
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PC sid
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Article
PubMed
830n/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))
BDBM50399772
PNG
(CHEMBL2179882)
Show SMILES COc1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C23H25N3O3/c1-28-19-6-2-5-17-13-20(29-22(17)19)23(27)25-21-16-7-10-26(11-8-16)18(21)12-15-4-3-9-24-14-15/h2-6,9,13-14,16,18,21H,7-8,10-12H2,1H3,(H,25,27)/t18-,21+/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 12n/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