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BDBM50475875 CHEMBL212501

SMILES: O=C(NCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O

InChI Key: InChIKey=CGFYQXPNMWDLDH-UHFFFAOYSA-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 = 50475875   
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
Monoamine oxidase


(Bos taurus)
BDBM50475875
PNG
(CHEMBL212501)
Show SMILES O=C(NCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C24H20N2O6/c27-21(17-13-15-7-1-3-9-19(15)31-23(17)29)25-11-5-6-12-26-22(28)18-14-16-8-2-4-10-20(16)32-24(18)30/h1-4,7-10,13-14H,5-6,11-12H2,(H,25,27)(H,26,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAOA


Bioorg Med Chem Lett 16: 4135-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.026
BindingDB Entry DOI: 10.7270/Q2Z03BXP
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50475875
PNG
(CHEMBL212501)
Show SMILES O=C(NCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C24H20N2O6/c27-21(17-13-15-7-1-3-9-19(15)31-23(17)29)25-11-5-6-12-26-22(28)18-14-16-8-2-4-10-20(16)32-24(18)30/h1-4,7-10,13-14H,5-6,11-12H2,(H,25,27)(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAOB


Bioorg Med Chem Lett 16: 4135-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.026
BindingDB Entry DOI: 10.7270/Q2Z03BXP
More data for this
Ligand-Target Pair