BDBM50054820 Methyllycaconitine::[(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate

SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14

InChI Key

Data  10 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50054820   

TargetNicotinic acetylcholine receptor(Cape York rat)
University of Kentucky

Curated by PDSP Ki Database
LigandPNGBDBM50054820([(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihy...)
Affinity DataKi:  0.640nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2012
Entry Details Article
PubMed
TargetAlpha-bungarotoxin(Many-banded krait)
Mcgill University

Curated by PDSP Ki Database
LigandPNGBDBM50054820([(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihy...)
Affinity DataKi:  3.10nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2012
Entry Details Article
PubMed
TargetAlpha-bungarotoxin(Many-banded krait)
Mcgill University

Curated by PDSP Ki Database
LigandPNGBDBM50054820([(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihy...)
Affinity DataKi:  7.90nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2012
Entry Details Article
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
University of Kentucky

Curated by PDSP Ki Database
LigandPNGBDBM50054820([(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihy...)
Affinity DataKi:  8.90nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2012
Entry Details
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
University of Kentucky

Curated by PDSP Ki Database
LigandPNGBDBM50054820([(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihy...)
Affinity DataKi:  261nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2012
Entry Details
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
University of Kentucky

Curated by PDSP Ki Database
LigandPNGBDBM50054820([(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihy...)
Affinity DataKi:  567nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
University of Bath

Curated by PDSP Ki Database
LigandPNGBDBM50054820([(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihy...)
Affinity DataKi:  1.60E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2012
Entry Details
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
University of Kentucky

Curated by PDSP Ki Database
LigandPNGBDBM50054820([(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihy...)
Affinity DataKi:  2.90E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
University of Bath

Curated by PDSP Ki Database
LigandPNGBDBM50054820([(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihy...)
Affinity DataKi:  3.21E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2012
Entry Details
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
University of Bath

Curated by PDSP Ki Database
LigandPNGBDBM50054820([(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihy...)
Affinity DataKi:  6.10E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2012
Entry Details
PubMed