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BDBM50346452 2-(2-(((2S,6S,13S,Z)-13-amino-2-(4-hydroxybenzyl)-4,14-dioxo-1,5-diazacyclotetradec-9-ene-6-carboxamido)methyl)phenyl)acetic acid::CHEMBL1782888

SMILES: N[C@H]1CCC=CCN[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O

InChI Key: InChIKey=DRAZQOHJCNVBRX-KJOQGJGQSA-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 = 50346452   
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))
BDBM50346452
PNG
(2-(2-(((2S,6S,13S,Z)-13-amino-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCC=CCN[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r,w:5.5|
Show InChI InChI=1S/C28H35N5O6/c29-23-8-2-1-5-13-30-26(28(39)31-17-20-7-4-3-6-19(20)15-25(36)37)33-24(35)16-21(32-27(23)38)14-18-9-11-22(34)12-10-18/h1,3-7,9-12,21,23,26,30,34H,2,8,13-17,29H2,(H,31,39)(H,32,38)(H,33,35)(H,36,37)/t21-,23-,26-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
30.4n/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))
BDBM50346452
PNG
(2-(2-(((2S,6S,13S,Z)-13-amino-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCC=CCN[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r,w:5.5|
Show InChI InChI=1S/C28H35N5O6/c29-23-8-2-1-5-13-30-26(28(39)31-17-20-7-4-3-6-19(20)15-25(36)37)33-24(35)16-21(32-27(23)38)14-18-9-11-22(34)12-10-18/h1,3-7,9-12,21,23,26,30,34H,2,8,13-17,29H2,(H,31,39)(H,32,38)(H,33,35)(H,36,37)/t21-,23-,26-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30E+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