BDBM87058 Lignan, 3::MLS000034632::N-tert-Butyl-N-(tert-butylcarbamoyl-methyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-propionamide::N-tert-butyl-N-[2-(tert-butylamino)-2-keto-ethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propionamide::N-tert-butyl-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide::N-tert-butyl-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide::SMR000007146::cid_648838

SMILES CC(C)(C)NC(=O)CN(C(=O)CCN1CCCc2ccccc12)C(C)(C)C

InChI Key InChIKey=VDWGQYMBLKWTQX-UHFFFAOYSA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 87058   

TargetChymotrypsin-C(Homo sapiens (Human))
University Of Karachi

LigandPNGBDBM87058(Lignan, 3 | MLS000034632 | N-tert-Butyl-N-(tert-bu...)
Affinity DataKi:  3.18E+4nM ΔG°:  -6.13kcal/molepH: 7.6 T: 2°CAssay Description:Chymotrypsin inhibitory activity of compunds was perfomred by the method of Cannel.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyadenylate-binding protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM87058(Lignan, 3 | MLS000034632 | N-tert-Butyl-N-(tert-bu...)
Affinity DataIC50: >6.60E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPolyadenylate-binding protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM87058(Lignan, 3 | MLS000034632 | N-tert-Butyl-N-(tert-bu...)
Affinity DataIC50: >6.60E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay