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BDBM50350643 CHEMBL1813520

SMILES: O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc12

InChI Key: InChIKey=NQNQRKGZTABJES-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 50350643   
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))
BDBM50350643
PNG
(CHEMBL1813520)
Show SMILES O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc12
Show InChI InChI=1S/C17H15NO3/c19-16-14-9-8-13(11-15(14)17(20)18-16)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350643
PNG
(CHEMBL1813520)
Show SMILES O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc12
Show InChI InChI=1S/C17H15NO3/c19-16-14-9-8-13(11-15(14)17(20)18-16)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
460n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350643
PNG
(CHEMBL1813520)
Show SMILES O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc12
Show InChI InChI=1S/C17H15NO3/c19-16-14-9-8-13(11-15(14)17(20)18-16)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate by fluorescence spectroscopy


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350643
PNG
(CHEMBL1813520)
Show SMILES O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc12
Show InChI InChI=1S/C17H15NO3/c19-16-14-9-8-13(11-15(14)17(20)18-16)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.73E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate by fluorescence spectroscopy


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair