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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50217370   
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] B


(Rattus norvegicus (rat))
BDBM50217370
PNG
(3-(4-methoxyphenyl)-N-propyl-5-(1H-pyrrol-2-yl)-4,...)
Show SMILES CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:7|
Show InChI InChI=1S/C18H22N4OS/c1-3-10-20-18(24)22-17(15-5-4-11-19-15)12-16(21-22)13-6-8-14(23-2)9-7-13/h4-9,11,17,19H,3,10,12H2,1-2H3,(H,20,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.91E+4n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOB after 60 mins pre-incubation


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50217370
PNG
(3-(4-methoxyphenyl)-N-propyl-5-(1H-pyrrol-2-yl)-4,...)
Show SMILES CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:7|
Show InChI InChI=1S/C18H22N4OS/c1-3-10-20-18(24)22-17(15-5-4-11-19-15)12-16(21-22)13-6-8-14(23-2)9-7-13/h4-9,11,17,19H,3,10,12H2,1-2H3,(H,20,24)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.09E+5n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOA after 60 mins pre-incubation


Bioorg Med Chem 15: 5775-86 (2007)


Article DOI: 10.1016/j.bmc.2007.06.004
BindingDB Entry DOI: 10.7270/Q2JH3N0R
More data for this
Ligand-Target Pair