BDBM50331042 2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,10-dioxo-1,2-dithia-5,9-diazacyclotridecane-4-carboxamido)methyl)phenyl)acetic acid::CHEMBL1277623

SMILES c1ccc(c(c1)CC(=O)O)CNC(=O)[C@@H]2CSSCC[C@@H](C(=O)N[C@H](CC(=O)N2)Cc3ccc(cc3)O)N

InChI Key InChIKey=VZYRMNZEFCZSER-UHFFFAOYSA-N

Data  5 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50331042   

TargetInterleukin-1 receptor antagonist protein(Human)
National Center For Scientific Research Demokritos

Curated by ChEMBL
LigandPNGBDBM50331042(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Affinity DataIC50: 16nMAssay Description:Inhibition of human IRAP soluble domain expressed in HEK293S GnTI(-) cells using Arg-AMC as substrate incubated for 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetInterleukin-1 receptor antagonist protein(Human)
National Center For Scientific Research Demokritos

Curated by ChEMBL
LigandPNGBDBM50331042(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Affinity DataIC50: 5nMAssay Description:Inhibition of human IRAP soluble domain expressed in HEK293S GnTI(-) cells using Leu-AMC as substrate incubated for 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetEndoplasmic reticulum aminopeptidase 2(Human)
National Center For Scientific Research Demokritos

Curated by ChEMBL
LigandPNGBDBM50331042(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Affinity DataIC50: 1.26E+3nMAssay Description:Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetInterleukin-1 receptor antagonist protein(Human)
National Center For Scientific Research Demokritos

Curated by ChEMBL
LigandPNGBDBM50331042(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Affinity DataIC50: 18nMAssay Description:Inhibition of recombinant full length human IRAP expressed in HEK293T cells assessed as substrate cleavage using Leu-MCA as substrate by fluorogenic ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetLeucyl-cystinyl aminopeptidase(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50331042(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Affinity DataKi:  3.30nMAssay Description:Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetInterleukin-1 receptor antagonist protein(Human)
National Center For Scientific Research Demokritos

Curated by ChEMBL
LigandPNGBDBM50331042(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Affinity DataKi:  11nMAssay Description:Binding affinity to recombinant full length human IRAP expressed in HEK293T cells using Leu-MCA as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetLeucyl-cystinyl aminopeptidase(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50331042(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Affinity DataKi:  35nMAssay Description:Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeucyl-cystinyl aminopeptidase(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50331042(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Affinity DataKi:  1.27E+3nMAssay Description:Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAminopeptidase N(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50331042(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Affinity DataKi:  7.25E+3nMAssay Description:Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed