BindingDB logo
myBDB logout

BDBM50493119 CHEMBL2417749

SMILES: CN1N=C(CC1c1ccc(F)cc1)c1ccc(O)cc1O

InChI Key: InChIKey=PWCUXLCHLIAMBR-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 = 50493119   
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


(Homo sapiens (Human))
BDBM50493119
PNG
(CHEMBL2417749)
Show SMILES CN1N=C(CC1c1ccc(F)cc1)c1ccc(O)cc1O |c:2|
Show InChI InChI=1S/C16H15FN2O2/c1-19-15(10-2-4-11(17)5-3-10)9-14(18-19)13-7-6-12(20)8-16(13)21/h2-8,15,20-21H,9H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-B expressed in baculovirus-infected insect BTI-TN-5B1-4 cells assessed as p-tyramine conversion to H2O...


Bioorg Med Chem Lett 23: 5128-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.035
BindingDB Entry DOI: 10.7270/Q2WD43H9
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50493119
PNG
(CHEMBL2417749)
Show SMILES CN1N=C(CC1c1ccc(F)cc1)c1ccc(O)cc1O |c:2|
Show InChI InChI=1S/C16H15FN2O2/c1-19-15(10-2-4-11(17)5-3-10)9-14(18-19)13-7-6-12(20)8-16(13)21/h2-8,15,20-21H,9H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 810n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-A expressed in baculovirus-infected insect BTI-TN-5B1-4 cells assessed as p-tyramine conversion to H2O...


Bioorg Med Chem Lett 23: 5128-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.035
BindingDB Entry DOI: 10.7270/Q2WD43H9
More data for this
Ligand-Target Pair