new BindingDB logo
myBDB logout

BDBM50111768 CHEMBL3605353

SMILES: C(CCCn1c2ccccc2c2cnccc12)CCn1c2ccccc2c2cnccc12

InChI Key: InChIKey=RWQVQCUDCXZINH-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 = 50111768   
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))
BDBM50111768
PNG
(CHEMBL3605353)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C25H44N4O8/c1-3-5-7-10-28(11-8-6-4-2)15-19(37-24-22(33)21(32)18(14-26)36-24)17-13-16(30)23(35-17)29-12-9-20(31)27-25(29)34/h9,12,16-19,21-24,30,32-33H,3-8,10-11,13-15,26H2,1-2H3,(H,27,31,34)/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 6.73E+4n/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))
BDBM50111768
PNG
(CHEMBL3605353)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C25H44N4O8/c1-3-5-7-10-28(11-8-6-4-2)15-19(37-24-22(33)21(32)18(14-26)36-24)17-13-16(30)23(35-17)29-12-9-20(31)27-25(29)34/h9,12,16-19,21-24,30,32-33H,3-8,10-11,13-15,26H2,1-2H3,(H,27,31,34)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 473n/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))
BDBM50111768
PNG
(CHEMBL3605353)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C25H44N4O8/c1-3-5-7-10-28(11-8-6-4-2)15-19(37-24-22(33)21(32)18(14-26)36-24)17-13-16(30)23(35-17)29-12-9-20(31)27-25(29)34/h9,12,16-19,21-24,30,32-33H,3-8,10-11,13-15,26H2,1-2H3,(H,27,31,34)/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 50n/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))
BDBM50111768
PNG
(CHEMBL3605353)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C25H44N4O8/c1-3-5-7-10-28(11-8-6-4-2)15-19(37-24-22(33)21(32)18(14-26)36-24)17-13-16(30)23(35-17)29-12-9-20(31)27-25(29)34/h9,12,16-19,21-24,30,32-33H,3-8,10-11,13-15,26H2,1-2H3,(H,27,31,34)/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 7.10E+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