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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM50409094'   
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))
BDBM50409094
PNG
(CHEMBL107488)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(O)c3)ccc12
Show InChI InChI=1S/C18H16O4/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9,19H,10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.77n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10%


J Med Chem 43: 4747-58 (2000)


BindingDB Entry DOI: 10.7270/Q20K29RT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50409094
PNG
(CHEMBL107488)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(O)c3)ccc12
Show InChI InChI=1S/C18H16O4/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9,19H,10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.80n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B


J Med Chem 44: 3195-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HQ417K
More data for this
Ligand-Target Pair