BDBM50210579 (2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benzyl-5-(2-carboxyethyl)-17-(carboxymethyl)-13-hydroxy-14,20-diisobutyl-8-isopropyl-11-methyl-4,7,10,16,19,22-hexaoxo-3,6,9,15,18,21-hexaazahexacosane-1,26-dioic acid::CHEMBL390456::OM00-3

SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=CFIWWTUUSMMDDA-IQRKPKHNSA-N

Data  4 KI  2 IC50

  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 6 hits for monomerid = 50210579   

TargetBeta-secretase 1(Homo sapiens (Human))
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50210579((2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benz...)
Affinity DataKi:  0.300nMAssay Description:Inhibition of human recombinant BACE1 ectodomain (1 to 460 amino acids) assessed as inhibition of proteolytic cleavage of Rhodamine-EVNLDAEFK-Quenche...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetBeta-secretase 1(Homo sapiens (Human))
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50210579((2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benz...)
Affinity DataKi:  0.310nMAssay Description:Inhibition of active BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetBeta-secretase 1(Homo sapiens (Human))
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50210579((2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benz...)
Affinity DataKi:  1.20nMAssay Description:Inhibition of human recombinant BACE1 using Mca-SEVNLDAEFK-DNP substrate assessed as substrate hydrolysis after 2 hrs by HPLC-FLU analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetBeta-secretase 2(Homo sapiens (Human))
Instituto De Biologia Experimental E Tecnol£Gica

Curated by ChEMBL
LigandPNGBDBM50210579((2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benz...)
Affinity DataKi:  3nMAssay Description:Apparent inhibition of human recombinant BACE2 using Mca-SEVNLDAEFK-DNP substrate assessed as substrate hydrolysis after 1 hr by HPLC-FLU analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50210579((2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benz...)
Affinity DataIC50:  6nMAssay Description:Inhibition of full-domain of BACE1 expressed in HEK393 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetBeta-secretase 1(Homo sapiens (Human))
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50210579((2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benz...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human BACE1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB