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SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12

InChI Key InChIKey=NECDJQNRWSICKG-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 8962   

TargetCarboxylic ester hydrolase(Equus caballus (Horse))
Universita di Siena

LigandPNGBDBM8962(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)copy SMILEScopy InChI
Affinity DataKi:  100nMAssay Description:Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P8WMJPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Universita di Siena

LigandPNGBDBM8962(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)copy SMILEScopy InChI
Affinity DataKi:  210nM ΔG°:  -9.10kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P8WMJPubMed
TargetAcetylcholinesterase(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM8962(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Inhibition of rat brain AChEMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2154GPXPubMed
TargetCarboxylic ester hydrolase(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM8962(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)copy SMILEScopy InChI
Affinity DataIC50: 329nMAssay Description:Inhibition of rat serum BuChEMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2154GPXPubMed
TargetAcetylcholinesterase(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM8962(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Inhibition of rat AChEMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z16D4PubMed
TargetCarboxylic ester hydrolase(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM8962(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)copy SMILEScopy InChI
Affinity DataIC50: 329nMAssay Description:Inhibition of rat BuChEMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z16D4PubMed
TargetAcetylcholinesterase(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM8962(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)copy SMILEScopy InChI
Affinity DataIC50: 28nMpH: 7.4 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43R9QPubMed
TargetCarboxylic ester hydrolase(Rattus norvegicus (rat))
Institute of Science

Curated by ChEMBL
LigandPNGBDBM8962(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)copy SMILEScopy InChI
Affinity DataIC50: 329nMpH: 7.4 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43R9QPubMed