BDBM9014 7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic acid [2-(1H-indol-5-metoxy-3-yl)-ethyl]-amide::N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide::Tacrine-Melatonin Hybrid 7b

SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1

InChI Key InChIKey=NNXPYYPDXHQYMI-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 9014   

TargetAcetylcholinesterase(Bos taurus (bovine))
Instituto De Quimica Medica (Csic)

LigandPNGBDBM9014(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Affinity DataIC50:  2.30nMpH: 8.0 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarboxylic ester hydrolase(Equus caballus (Horse))
Instituto De Quimica Medica (Csic)

LigandPNGBDBM9014(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Affinity DataIC50:  2.5nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM9014(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Affinity DataIC50:  0nMAssay Description:Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Instituto De Quimica Medica (Csic)

LigandPNGBDBM9014(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Affinity DataIC50:  3nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM9014(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Affinity DataIC50:  0.650nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed