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BDBM50453020 CHEMBL4209203

SMILES: Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C

InChI Key: InChIKey=WDCZOLPCRVTBPH-UHFFFAOYSA-N

Data: 3 KI  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 5 hits for monomerid = 50453020   
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
Amine oxidase [flavin-containing] B


(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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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


(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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0.670n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in...


J Med Chem 59: 5879-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00527
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(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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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)
Amine oxidase [flavin-containing] B


(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)
PDB

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n/an/a 0.670n/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...


J Med Chem 59: 5879-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00527
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(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)
PDB

Reactome pathway

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antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.676n/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...


J Med Chem 59: 5879-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00527
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)