BDBM50220043 (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-bis[(4-nitrophenyl)methyl]-24-phenyl-10,26-dioxa-8,15,24,31-tetraazaundecacyclo[29.5.2.0^{1,32}.0^{2,7}.0^{8,36}.0^{9,22}.0^{13,21}.0^{15,19}.0^{18,23}.0^{25,35}.0^{29,34}]octatriaconta-2,4,6,12,28-pentaene-15,31-diium dibromide::CHEMBL229998

SMILES O=[N+]([O-])c1ccc(C[N+]23CC[C@@H]4[C@@H]5[C@@H]6[C@@H](OCC=C(C2)[C@@H]6C[C@@H]43)N2c3ccccc3[C@@]34CC[N+]6(Cc7ccc([N+](=O)[O-])cc7)CC7=CCO[C@H]([C@@H]([C@H]23)[C@H]7C[C@@H]46)N5c2ccccc2)cc1

InChI Key InChIKey=NJSFLPPGJOTCQD-UHFFFAOYSA-N

Data  3 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50220043   

TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
University of Copenhagen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50220043BDBM50220043((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataKi:  20nMAssay Description:Displacement of [3H]methyllycaconitine from human alpha-7 in tsA201 cells coexpressed with 5HT3A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
University of Copenhagen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50220043BDBM50220043((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataKi:  29nMAssay Description:Displacement of [3H]methyllycaconitine from alpha7 nAChR in tsA201 cells co-expressed with Ric3More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
University of Copenhagen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50220043BDBM50220043((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataIC50: 360nMAssay Description:Antagonist activity at human alpha7nAChR co-expressed with human Ric3 in tsA201 cells by FMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
University of Copenhagen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50220043BDBM50220043((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataIC50: 370nMAssay Description:Antagonist activity at human alpha-7 nAChR in tsA201 cells coexpressed with Ric3 by FMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 3A(Human)
University of Copenhagen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50220043BDBM50220043((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataKi:  2.30E+4nMAssay Description:Displacement of [3H]GR65630 from human 5HT3A receptor in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
TargetGlycine receptor subunit alpha-1(Human)
University of Copenhagen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50220043BDBM50220043((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataIC50: 1.00E+5nMAssay Description:Antagonist activity at human glycine alpha-1 receptor in HEK293 cells by FMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 3A(Human)
University of Copenhagen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50220043BDBM50220043((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataIC50: 1.00E+5nMAssay Description:Antagonist activity at human 5HT3A receptor expressed in HEK293 cells by FMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed