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BDBM50463822 CHEMBL1233960

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

InChI Key: InChIKey=GBARCMIFTACERW-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50463822   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50463822
PNG
(CHEMBL1233960)
Show SMILES OCCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 685n/an/an/an/an/an/a



Hainan Normal University

Curated by ChEMBL


Assay Description
Inhibition of rat MAOB using benzylamine as substrate pretreated for 1200 secs followed by substrate addition and measured after 3600 secs


Bioorg Med Chem 26: 4863-4870 (2018)


Article DOI: 10.1016/j.bmc.2018.08.024
BindingDB Entry DOI: 10.7270/Q2319ZJ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50463822
PNG
(CHEMBL1233960)
Show SMILES OCCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Hainan Normal University

Curated by ChEMBL


Assay Description
Inhibition of rat MAOA using 5-hydroxytryptamine as substrate pretreated for 1200 secs followed by substrate addition and measured after 3600 secs


Bioorg Med Chem 26: 4863-4870 (2018)


Article DOI: 10.1016/j.bmc.2018.08.024
BindingDB Entry DOI: 10.7270/Q2319ZJ2
More data for this
Ligand-Target Pair