BDBM50220050 (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-bis(cyclohex-2-en-1-yl)-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-bis(ylium) dibromide::CHEMBL231056

SMILES C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2C[N+]3(CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)C1CCCC=C1)c1ccccc1)C1CCCC=C1

InChI Key InChIKey=WIHLVGZFKARCLL-UHFFFAOYSA-N

Data  3 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50220050   

Target5-hydroxytryptamine receptor 3A(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50220050((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataIC50: 3.98E+3nMAssay 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
TargetGlycine receptor subunit alpha-1(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50220050((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
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50220050((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataIC50: 3.00E+3nMAssay 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
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50220050((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataIC50: 2.95E+3nMAssay 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
LigandPNGBDBM50220050((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataKi:  590nMAssay 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
LigandPNGBDBM50220050((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataKi:  720nMAssay 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
Target5-hydroxytryptamine receptor 3A(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50220050((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Affinity DataKi:  2.51E+3nMAssay 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