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BDBM50111771 CHEMBL3605356

SMILES: C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12

InChI Key: InChIKey=WBZJVQCPQBHRKY-NGGDQPKYSA-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 = 50111771   
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))
BDBM50111771
PNG
(CHEMBL3605356)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-10-9-22(34)31-28(32)38)14-30-25(37)15-5-4-8-17(11-15)39-16-6-2-1-3-7-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.10E+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))
BDBM50111771
PNG
(CHEMBL3605356)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-10-9-22(34)31-28(32)38)14-30-25(37)15-5-4-8-17(11-15)39-16-6-2-1-3-7-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 40n/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))
BDBM50111771
PNG
(CHEMBL3605356)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-10-9-22(34)31-28(32)38)14-30-25(37)15-5-4-8-17(11-15)39-16-6-2-1-3-7-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 13n/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))
BDBM50111771
PNG
(CHEMBL3605356)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-10-9-22(34)31-28(32)38)14-30-25(37)15-5-4-8-17(11-15)39-16-6-2-1-3-7-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.90E+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