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BDBM50402320 CHEMBL2206103

SMILES: Cn1c(SCCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=IZVRELZBGYVCCR-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50402320   
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) A


(Homo sapiens (Human))
BDBM50402320
PNG
(CHEMBL2206103)
Show SMILES Cn1c(SCCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H19ClN4O2S/c1-20-13-14(21(2)17(24)22(3)15(13)23)19-16(20)25-10-4-5-11-6-8-12(18)9-7-11/h6-9H,4-5,10H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 708n/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))
BDBM50402320
PNG
(CHEMBL2206103)
Show SMILES Cn1c(SCCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H19ClN4O2S/c1-20-13-14(21(2)17(24)22(3)15(13)23)19-16(20)25-10-4-5-11-6-8-12(18)9-7-11/h6-9H,4-5,10H2,1-3H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 61n/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