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SMILES: Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1

InChI Key: InChIKey=NAIGEVCHUKVUFG-UHFFFAOYSA-N

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 = 50093326   
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] B


(Rattus norvegicus (rat))
BDBM50093326
PNG
(CHEMBL3586600)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C26H24ClNO3.ClH/c1-18-12-26(29)31-25-14-23(10-11-24(18)25)30-17-20-8-6-19(7-9-20)15-28(2)16-21-4-3-5-22(27)13-21;/h3-14H,15-17H2,1-2H3;1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50093326
PNG
(CHEMBL3586600)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C26H24ClNO3.ClH/c1-18-12-26(29)31-25-14-23(10-11-24(18)25)30-17-20-8-6-19(7-9-20)15-28(2)16-21-4-3-5-22(27)13-21;/h3-14H,15-17H2,1-2H3;1H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50093326
PNG
(CHEMBL3586600)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C26H24ClNO3.ClH/c1-18-12-26(29)31-25-14-23(10-11-24(18)25)30-17-20-8-6-19(7-9-20)15-28(2)16-21-4-3-5-22(27)13-21;/h3-14H,15-17H2,1-2H3;1H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair