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BDBM50346458 (2S,5S,12S)-12-amino-N-benzyl-2-(4-hydroxybenzyl)-3,13-dioxo-1,4-diazacyclotridecane-5-carboxamide::CHEMBL1782884

SMILES: N[C@H]1CCCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=WESKKZCOSAUWJU-VABKMULXSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50346458   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50346458
PNG
((2S,5S,12S)-12-amino-N-benzyl-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C26H34N4O4/c27-21-10-6-1-2-7-11-22(25(33)28-17-19-8-4-3-5-9-19)29-26(34)23(30-24(21)32)16-18-12-14-20(31)15-13-18/h3-5,8-9,12-15,21-23,31H,1-2,6-7,10-11,16-17,27H2,(H,28,33)(H,29,34)(H,30,32)/t21-,22-,23-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
193n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


J Med Chem 54: 3779-92 (2011)


Article DOI: 10.1021/jm200036n
BindingDB Entry DOI: 10.7270/Q2348KPZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50346458
PNG
((2S,5S,12S)-12-amino-N-benzyl-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C26H34N4O4/c27-21-10-6-1-2-7-11-22(25(33)28-17-19-8-4-3-5-9-19)29-26(34)23(30-24(21)32)16-18-12-14-20(31)15-13-18/h3-5,8-9,12-15,21-23,31H,1-2,6-7,10-11,16-17,27H2,(H,28,33)(H,29,34)(H,30,32)/t21-,22-,23-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.35E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human AP-N transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


J Med Chem 54: 3779-92 (2011)


Article DOI: 10.1021/jm200036n
BindingDB Entry DOI: 10.7270/Q2348KPZ
More data for this
Ligand-Target Pair