BindingDB logo
myBDB logout

BDBM50402329 CHEMBL2206094

SMILES: Cn1c(SCCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=QZIZIBVWLHMJMX-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50402329   
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))
BDBM50402329
PNG
(CHEMBL2206094)
Show SMILES Cn1c(SCCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-8-7-10-5-4-6-11(17)9-10/h4-6,9H,7-8H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70E+3n/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))
BDBM50402329
PNG
(CHEMBL2206094)
Show SMILES Cn1c(SCCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-8-7-10-5-4-6-11(17)9-10/h4-6,9H,7-8H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/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