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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50047026   
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))
BDBM50047026
PNG
(3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-2-thioxo-[1,3...)
Show SMILES Clc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1
Show InChI InChI=1S/C18H14ClN3O2S/c19-15-4-1-3-13(11-15)12-23-16-7-5-14(6-8-16)17-21-22(10-2-9-20)18(25)24-17/h1,3-8,11H,2,10,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 160n/an/an/an/an/an/a



Universit£ Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity on rat brain MAO-B.


J Med Chem 36: 1157-67 (1993)


BindingDB Entry DOI: 10.7270/Q2765FZP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50047026
PNG
(3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-2-thioxo-[1,3...)
Show SMILES Clc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1
Show InChI InChI=1S/C18H14ClN3O2S/c19-15-4-1-3-13(11-15)12-23-16-7-5-14(6-8-16)17-21-22(10-2-9-20)18(25)24-17/h1,3-8,11H,2,10,12H2
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Universit£ Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity on rat brain by monoamine oxidase A (MAO-A)


J Med Chem 36: 1157-67 (1993)


BindingDB Entry DOI: 10.7270/Q2765FZP
More data for this
Ligand-Target Pair