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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50168968   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50168968
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-thiomorphol...)
Show SMILES Cn1cccc1C(=O)[C@H](N1CCSCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2OS/c1-18-9-5-8-15(18)17(20)16(14-6-3-2-4-7-14)19-10-12-21-13-11-19/h2-9,16H,10-13H2,1H3/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
76n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A


J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50168968
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-thiomorphol...)
Show SMILES Cn1cccc1C(=O)[C@H](N1CCSCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2OS/c1-18-9-5-8-15(18)17(20)16(14-6-3-2-4-7-14)19-10-12-21-13-11-19/h2-9,16H,10-13H2,1H3/t16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration for human Monoamine oxidase B


J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair