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BDBM50402332 CHEMBL2206091

SMILES: Cc1ccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1

InChI Key: InChIKey=DGSRDHSYJYNQOI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50402332   
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] A


(Homo sapiens (Human))
BDBM50402332
PNG
(CHEMBL2206091)
Show SMILES Cc1ccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C17H20N4O2S/c1-11-5-7-12(8-6-11)9-10-24-16-18-14-13(19(16)2)15(22)21(4)17(23)20(14)3/h5-8H,9-10H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.25E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402332
PNG
(CHEMBL2206091)
Show SMILES Cc1ccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C17H20N4O2S/c1-11-5-7-12(8-6-11)9-10-24-16-18-14-13(19(16)2)15(22)21(4)17(23)20(14)3/h5-8H,9-10H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair