BDBM16251 (3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamate::N-benzyl-N2-{(2R,4S,5S)-5-[(N-{[(3,5-dimethyl-1H-pyrazol-1-yl)methoxy]carbonyl}-L-methionyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-valinamide::pyrazole-bearing inhibitor 3

SMILES CSCC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1

InChI Key InChIKey=ULDYEMFEBUTYDX-UYVIBWFJSA-N

Data  3 KI

  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 = 16251   

TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

LigandPNGBDBM16251((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(...)
Affinity DataKi:  14nM ΔG°:  -11.1kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Purdue University

LigandPNGBDBM16251((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(...)
Affinity DataKi:  25nM ΔG°:  -10.8kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Purdue University

LigandPNGBDBM16251((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(...)
Affinity DataKi:  811nM ΔG°:  -8.64kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed