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BDBM50063994 CHEMBL338404::Ro-166491

SMILES: NCCNC(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=AIHKMGLJGLKLSI-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50063994   
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))
BDBM50063994
PNG
(CHEMBL338404 | Ro-166491)
Show SMILES NCCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H11ClN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13)
PDB

UniProtKB/SwissProt

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Article
PubMed
32n/an/an/an/an/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063994
PNG
(CHEMBL338404 | Ro-166491)
Show SMILES NCCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H11ClN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
997n/an/an/an/an/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 min...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50063994
PNG
(CHEMBL338404 | Ro-166491)
Show SMILES NCCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H11ClN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.90E+4n/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble MAO-B assessed as thermal shift after 20 mins by SYPRO orange staining-based fluorescence assay


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair