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PDB code 6FVZ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B

  (520/520 = 100%)
(Homo sapiens (Human))
BDBM50453020
PNG
(CHEMBL4209203)
Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C
Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
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PC cid
PC sid
PDB
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PDB
Article
PubMed
0.310n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradish peroxidase-A...


J Med Chem 61: 4203-4212 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00357
BindingDB Entry DOI: 10.7270/Q2KH0QWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B

  (520/520 = 100%)
(Homo sapiens (Human))
BDBM50453020
PNG
(CHEMBL4209203)
Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C
Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
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PC cid
PC sid
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PDB
Article
PubMed
55n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradi...


J Med Chem 61: 4203-4212 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00357
BindingDB Entry DOI: 10.7270/Q2KH0QWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output