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BDBM50127236 CHEMBL3629474

SMILES: COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(F)ccc3oc2=O)cc1

InChI Key: InChIKey=NJDBZDHIZHXLCY-MECPWLEMSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50127236   
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))
BDBM50127236
PNG
(CHEMBL3629474)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(F)ccc3oc2=O)cc1
Show InChI InChI=1S/C29H23FO6/c1-33-22-9-5-18(6-10-22)4-7-19-15-23(34-2)17-28(35-3)24(19)11-12-26(31)25-16-20-14-21(30)8-13-27(20)36-29(25)32/h4-17H,1-3H3/b7-4+,12-11+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.43E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additio...


Eur J Med Chem 103: 185-90 (2015)


BindingDB Entry DOI: 10.7270/Q29C7070
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50127236
PNG
(CHEMBL3629474)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(F)ccc3oc2=O)cc1
Show InChI InChI=1S/C29H23FO6/c1-33-22-9-5-18(6-10-22)4-7-19-15-23(34-2)17-28(35-3)24(19)11-12-26(31)25-16-20-14-21(30)8-13-27(20)36-29(25)32/h4-17H,1-3H3/b7-4+,12-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additio...


Eur J Med Chem 103: 185-90 (2015)


BindingDB Entry DOI: 10.7270/Q29C7070
More data for this
Ligand-Target Pair