BDBM16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1

SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1

InChI Key InChIKey=VPNIQGRFZCTBEZ-SPTGULJVSA-N

Data  3 KI  36 IC50  1 EC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 16034   

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

LigandPNGBDBM16034(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Affinity DataKi:  233nM ΔG°:  -9.41kcal/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
TargetBeta-secretase 2(Homo sapiens (Human))
Purdue University

LigandPNGBDBM16034(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Affinity DataKi:  240nM ΔG°:  -9.39kcal/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

LigandPNGBDBM16034(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Affinity DataKi:  448nM ΔG°:  -9.00kcal/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