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BDBM50336494 6-amino-5,6,8,9-tetrahydrobenzocycloheptene-7-one, hydrochloride::CHEMBL1668625

SMILES: NC1Cc2ccccc2CCC1=O

InChI Key: InChIKey=DWLCFXRAYGQBEW-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50336494   
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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50336494
PNG
(6-amino-5,6,8,9-tetrahydrobenzocycloheptene-7-one,...)
Show SMILES NC1Cc2ccccc2CCC1=O
Show InChI InChI=1S/C11H13NO/c12-10-7-9-4-2-1-3-8(9)5-6-11(10)13/h1-4,10H,5-7,12H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Laboratoire de Chimie Organique et Bioorganique, FRE3252, ENSCMu, F-68093 Mulhouse Cedex, France.

Curated by ChEMBL


Assay Description
Inhibition of human aminopeptidase N by Dixon plot analysis


Bioorg Med Chem 19: 1434-49 (2011)


Article DOI: 10.1016/j.bmc.2011.01.008
BindingDB Entry DOI: 10.7270/Q2G44QJQ
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50336494
PNG
(6-amino-5,6,8,9-tetrahydrobenzocycloheptene-7-one,...)
Show SMILES NC1Cc2ccccc2CCC1=O
Show InChI InChI=1S/C11H13NO/c12-10-7-9-4-2-1-3-8(9)5-6-11(10)13/h1-4,10H,5-7,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Laboratoire de Chimie Organique et Bioorganique, FRE3252, ENSCMu, F-68093 Mulhouse Cedex, France.

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase activity of human leukotriene A4 hydrolase by Dixon plot analysis


Bioorg Med Chem 19: 1434-49 (2011)


Article DOI: 10.1016/j.bmc.2011.01.008
BindingDB Entry DOI: 10.7270/Q2G44QJQ
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Bos taurus (bovine))
BDBM50336494
PNG
(6-amino-5,6,8,9-tetrahydrobenzocycloheptene-7-one,...)
Show SMILES NC1Cc2ccccc2CCC1=O
Show InChI InChI=1S/C11H13NO/c12-10-7-9-4-2-1-3-8(9)5-6-11(10)13/h1-4,10H,5-7,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Laboratoire de Chimie Organique et Bioorganique, FRE3252, ENSCMu, F-68093 Mulhouse Cedex, France.

Curated by ChEMBL


Assay Description
Inhibition of bovine lens cytosolic leucine aminopeptidase by Dixon plot analysis


Bioorg Med Chem 19: 1434-49 (2011)


Article DOI: 10.1016/j.bmc.2011.01.008
BindingDB Entry DOI: 10.7270/Q2G44QJQ
More data for this
Ligand-Target Pair