BDBM50149201 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM::3,8-Diamino-6-phenyl-5-(6-{3-[2-(1,2,3,4-tetrahydro-acridin-9-ylamino)-ethyl]-3H-[1,2,3]triazol-4-yl}-hexyl)-phenanthridinium::CHEMBL117651

SMILES Nc1ccc2c(c1)c(-c1ccccc1)n(CCCCCCc1cnnn1CCNc1c3CCCCc3nc3ccccc13)c1cc(=[NH2+])ccc21

InChI Key InChIKey=ISUOMOOYAOQQPZ-UHFFFAOYSA-O

Data  3 KI  4 Kd

PDB links: 5 PDB IDs match this monomer.

  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 = 50149201   

TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
Universit£

Curated by ChEMBL
LigandPNGBDBM50149201(3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...)
Affinity DataKi:  0.0770nMAssay Description:Inhibition of Torpedo californica AChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Mus musculus (mouse))
Universit£

Curated by ChEMBL
LigandPNGBDBM50149201(3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...)
Affinity DataKi:  0.410nMAssay Description:Binding affinity to mouse AChEMore data for this Ligand-Target Pair
TargetCholinesterase(Mus musculus (Mouse))
Universit£

Curated by ChEMBL
LigandPNGBDBM50149201(3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...)
Affinity DataKi:  0.720nMAssay Description:Inhibition of mouse BuChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM50149201(3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...)
Affinity DataKd:  0nMAssay Description:Binding affinity to acetylcholine esterase (unknown origin)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
University Of Groningen

Curated by ChEMBL
LigandPNGBDBM50149201(3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...)
Affinity DataKd:  0nMAssay Description:Binding affinity to electric eel AChE after 24 hrs by LC/MS-SIM analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Mus musculus (mouse))
Universit£

Curated by ChEMBL
LigandPNGBDBM50149201(3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...)
Affinity DataKd:  0nMAssay Description:Inhibition of mouse AChE active site after 12 hrs by LC/MS-SIM analysisMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Mus musculus (mouse))
Universit£

Curated by ChEMBL
LigandPNGBDBM50149201(3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...)
Affinity DataKd:  0.000410nMAssay Description:Dissociation constant towards Acetylcholinesterase in mouseMore data for this Ligand-Target Pair