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BDBM50428655 CHEMBL2332212

SMILES: CN(CC#C)[C@H](CF)Cc1ccco1

InChI Key: InChIKey=XBKZEROHOXZUGT-UEQNJFAPNA-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 = 50428655   
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))
BDBM50428655
PNG
(CHEMBL2332212)
Show SMILES CN(CC#C)[C@H](CF)Cc1ccco1
Show InChI InChI=1/C11H14FNO/c1-3-6-13(2)10(9-12)8-11-5-4-7-14-11/h1,4-5,7,10H,6,8-9H2,2H3/t10-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 209n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as inhibition of kynuramine oxidation by spectrophotometry


Bioorg Med Chem 21: 186-95 (2012)


Article DOI: 10.1016/j.bmc.2012.10.050
BindingDB Entry DOI: 10.7270/Q2PC33RV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50428655
PNG
(CHEMBL2332212)
Show SMILES CN(CC#C)[C@H](CF)Cc1ccco1
Show InChI InChI=1/C11H14FNO/c1-3-6-13(2)10(9-12)8-11-5-4-7-14-11/h1,4-5,7,10H,6,8-9H2,2H3/t10-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as inhibition of kynuramine oxidation by spectrophotometry


Bioorg Med Chem 21: 186-95 (2012)


Article DOI: 10.1016/j.bmc.2012.10.050
BindingDB Entry DOI: 10.7270/Q2PC33RV
More data for this
Ligand-Target Pair