BDBM81905 1-(3,4-dihydroisoquinolin-1(1H)-yl)-2-(5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-ylthio)ethanone, 4

SMILES Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1

InChI Key InChIKey=SVVCCBBUWWVOLZ-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 81905   

TargetCarboxypeptidase B(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
Universitat AutÒnoma De Barcelona

LigandPNGBDBM81905(1-(3,4-dihydroisoquinolin-1(1H)-yl)-2-(5-(3,5-dime...)
Affinity DataKi:  4.10E+3nMAssay Description:The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarboxypeptidase A1(Bos taurus (bovine))
Universitat AutÒnoma De Barcelona

LigandPNGBDBM81905(1-(3,4-dihydroisoquinolin-1(1H)-yl)-2-(5-(3,5-dime...)
Affinity DataKi:  6.50E+3nMAssay Description:The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarboxypeptidase B2(Homo sapiens (Human))
Universitat AutÒnoma De Barcelona

LigandPNGBDBM81905(1-(3,4-dihydroisoquinolin-1(1H)-yl)-2-(5-(3,5-dime...)
Affinity DataKi:  7.40E+3nMAssay Description:The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed