BDBM16261 1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-3-N-[(1S)-2-hydroxy-1-phenylethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::Isophthalamide Derivative 5f

SMILES CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C

InChI Key InChIKey=GUIKWSZIYUANFW-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 16261   

TargetBeta-secretase 2(Human)
Purdue University

LigandPNGBDBM16261(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Affinity DataKi:  397nM ΔG°:  -9.08kcal/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 Depth
Date in BDB:
6/10/2007
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Purdue University

LigandPNGBDBM16261(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Affinity DataKi:  438nM ΔG°:  -9.02kcal/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 Depth
Date in BDB:
6/10/2007
Entry Details Article
PubMed
TargetCathepsin D(Human)
Purdue University

LigandPNGBDBM16261(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Affinity DataKi:  633nM ΔG°:  -8.79kcal/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 Depth
Date in BDB:
6/10/2007
Entry Details Article
PubMed