BDBM16256 1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-5-(N-methylmethanesulfonamido)-3-N-propylbenzene-1,3-dicarboxamide::Isophthalamide Derivative 5a

SMILES CCCNC(=O)c1cc(cc(c1)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)NC(C)C)N(C)S(C)(=O)=O

InChI Key InChIKey=ASDUQZMMSYNGOP-FBZFJNBBSA-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 = 16256   

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

LigandPNGBDBM16256(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Affinity DataKi:  52.5nM ΔG°:  -10.3kcal/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

LigandPNGBDBM16256(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Affinity DataKi:  340nM ΔG°:  -9.17kcal/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

LigandPNGBDBM16256(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Affinity DataKi:  483nM ΔG°:  -8.96kcal/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