BDBM50220042 (1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26-bis[(3,4-dimethoxyphenyl)methyl]-35-(2-hydroxyethylidene)-19-phenyl-21-oxa-8,14,19,26-tetraazadecacyclo[24.5.2.2^{11,14}.0^{1,27}.0^{2,7}.0^{8,31}.0^{10,18}.0^{13,17}.0^{20,30}.0^{24,29}]pentatriaconta-2,4,6,9,23-pentaene-14,26-diium dichloride::CHEMBL388049

SMILES COc1ccc(C[N+]23CC[C@@H]4[C@@H]5/C(=C\N6c7ccccc7[C@@]78CC[N+]9(Cc%10ccc(OC)c(OC)c%10)CC%10=CCO[C@H]([C@@H]([C@H]67)[C@H]%10C[C@@H]89)N5c5ccccc5)[C@H](C[C@@H]42)/C(=C\CO)C3)cc1OC

InChI Key InChIKey=PZQLMQHTASUMAA-UHFFFAOYSA-N

Data  3 KI  3 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 6 hits for monomerid = 50220042   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50220042BDBM50220042((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...)
Affinity DataKi:  200nMAssay 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 50220042BDBM50220042((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...)
Affinity DataKi:  251nMAssay 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 50220042BDBM50220042((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...)
Affinity DataIC50: 2.60E+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
Target5-hydroxytryptamine receptor 3A(Human)
University of Copenhagen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50220042BDBM50220042((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...)
Affinity DataIC50: 3.16E+4nMAssay 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
LigandChemical structure of BindingDB Monomer ID 50220042BDBM50220042((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...)
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 50220042BDBM50220042((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...)
Affinity DataKi:  1.00E+5nMAssay 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