BindingDB logo
myBDB logout

BDBM50456659 CHEMBL4217683

SMILES: COc1cccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)c1

InChI Key: InChIKey=FIAJLLVZMIFOBX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50456659   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50456659
PNG
(CHEMBL4217683)
Show SMILES COc1cccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C22H21NO4/c1-3-11-23(16-17-5-4-6-19(14-17)25-2)12-13-26-20-9-7-18-8-10-22(24)27-21(18)15-20/h1,4-10,14-15H,11-13,16H2,2H3
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.21E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...


Eur J Med Chem 138: 715-728 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.008
BindingDB Entry DOI: 10.7270/Q2S46VKC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50456659
PNG
(CHEMBL4217683)
Show SMILES COc1cccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C22H21NO4/c1-3-11-23(16-17-5-4-6-19(14-17)25-2)12-13-26-20-9-7-18-8-10-22(24)27-21(18)15-20/h1,4-10,14-15H,11-13,16H2,2H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.01E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...


Eur J Med Chem 138: 715-728 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.008
BindingDB Entry DOI: 10.7270/Q2S46VKC
More data for this
Ligand-Target Pair