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BDBM50111769 CHEMBL3605354

SMILES: C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12

InChI Key: InChIKey=ZXHQVBQBXYWKAB-VXAIIWMZSA-N

Data: 4 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 4 hits for monomerid = 50111769   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111769
PNG
(CHEMBL3605354)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C25H44N6O8/c1-3-28(4-2)7-8-29-9-11-30(12-10-29)15-19(39-24-22(35)21(34)18(14-26)38-24)17-13-16(32)23(37-17)31-6-5-20(33)27-25(31)36/h5-6,16-19,21-24,32,34-35H,3-4,7-15,26H2,1-2H3,(H,27,33,36)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111769
PNG
(CHEMBL3605354)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C25H44N6O8/c1-3-28(4-2)7-8-29-9-11-30(12-10-29)15-19(39-24-22(35)21(34)18(14-26)38-24)17-13-16(32)23(37-17)31-6-5-20(33)27-25(31)36/h5-6,16-19,21-24,32,34-35H,3-4,7-15,26H2,1-2H3,(H,27,33,36)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 89n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111769
PNG
(CHEMBL3605354)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C25H44N6O8/c1-3-28(4-2)7-8-29-9-11-30(12-10-29)15-19(39-24-22(35)21(34)18(14-26)38-24)17-13-16(32)23(37-17)31-6-5-20(33)27-25(31)36/h5-6,16-19,21-24,32,34-35H,3-4,7-15,26H2,1-2H3,(H,27,33,36)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 16n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111769
PNG
(CHEMBL3605354)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C25H44N6O8/c1-3-28(4-2)7-8-29-9-11-30(12-10-29)15-19(39-24-22(35)21(34)18(14-26)38-24)17-13-16(32)23(37-17)31-6-5-20(33)27-25(31)36/h5-6,16-19,21-24,32,34-35H,3-4,7-15,26H2,1-2H3,(H,27,33,36)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair