BDBM10597 (1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine::7-chloro-15-ethyl-(1R,13S)-10-azoniatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine::CHEMBL143812::Huprine X::rac-huprine H7

SMILES CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1

InChI Key InChIKey=QTPHSDHUHXUYFE-UHFFFAOYSA-N

Data  3 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 10597   

TargetAcetylcholinesterase(Bovine)
Universitat De Barcelona

Curated by ChEMBL
LigandPNGBDBM10597((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)
Affinity DataIC50: 2.77nMAssay Description:Inhibition of bovine erythrocyte AChEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMed
TargetAcetylcholinesterase(Bovine)
Universitat De Barcelona

Curated by ChEMBL
LigandPNGBDBM10597((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)
Affinity DataIC50: 1.30nMAssay Description:In vitro inhibitory activity against bovine acetylcholinesteraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Universitat De Barcelona

Curated by ChEMBL
LigandPNGBDBM10597((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)
Affinity DataIC50: 0.320nMAssay Description:Inhibitory activity against human erythrocyte acetylcholinesteraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Universitat De Barcelona

Curated by ChEMBL
LigandPNGBDBM10597((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)
Affinity DataKi:  0.0260nM ΔG°:  -14.4kcal/molepH: 8.0 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/5/2006
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Universitat De Barcelona

Curated by ChEMBL
LigandPNGBDBM10597((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)
Affinity DataKi:  0.0260nM ΔG°:  -14.4kcal/molepH: 7.0 T: 2°CAssay Description:Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/6/2014
Entry Details Article
PubMed
TargetCholinesterase(Human)
Universita Di Siena

LigandPNGBDBM10597((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)
Affinity DataKi:  120nM ΔG°:  -9.43kcal/molepH: 8.0 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/5/2006
Entry Details Article
PubMed