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3 similar compounds to monomer 50238678

Compile data set for download or QSAR
Wt: 379.4
BDBM50245966
Wt: 345.4
BDBM50297426
Wt: 393.5
BDBM50297434

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50245966,50297426,50297434   
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] B


(Rattus norvegicus (rat))
BDBM50245966
PNG
(3-(2-hydroxyphenyl)-N-phenyl-5-(thiophen-2-yl)-4,5...)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1cccs1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C20H17N3OS2/c24-18-10-5-4-9-15(18)16-13-17(19-11-6-12-26-19)23(22-16)20(25)21-14-7-2-1-3-8-14/h1-12,17,24H,13H2,(H,21,25)
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n/an/a 3.86E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50245966
PNG
(3-(2-hydroxyphenyl)-N-phenyl-5-(thiophen-2-yl)-4,5...)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1cccs1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C20H17N3OS2/c24-18-10-5-4-9-15(18)16-13-17(19-11-6-12-26-19)23(22-16)20(25)21-14-7-2-1-3-8-14/h1-12,17,24H,13H2,(H,21,25)
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n/an/a 5.56E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50245966
PNG
(3-(2-hydroxyphenyl)-N-phenyl-5-(thiophen-2-yl)-4,5...)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1cccs1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C20H17N3OS2/c24-18-10-5-4-9-15(18)16-13-17(19-11-6-12-26-19)23(22-16)20(25)21-14-7-2-1-3-8-14/h1-12,17,24H,13H2,(H,21,25)
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n/an/a 5.56E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in Pichia pastoris


Bioorg Med Chem 18: 1875-81 (2010)


Article DOI: 10.1016/j.bmc.2010.01.043
BindingDB Entry DOI: 10.7270/Q2M908SX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50297434
PNG
(3-(4-methoxyphenyl)-N-phenyl-5-(thiophen-2-yl)-4,5...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C21H19N3OS2/c1-25-17-11-9-15(10-12-17)18-14-19(20-8-5-13-27-20)24(23-18)21(26)22-16-6-3-2-4-7-16/h2-13,19H,14H2,1H3,(H,22,26)
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n/an/a 9.20E+4n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MAOB


Eur J Med Chem 44: 3584-90 (2009)


Article DOI: 10.1016/j.ejmech.2009.02.031
BindingDB Entry DOI: 10.7270/Q2Z60P4F
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50297426
PNG
(CHEMBL557213 | N-ethyl-3-(4-methoxyphenyl)-5-(thio...)
Show SMILES CCNC(=S)N1N=C(CC1c1cccs1)c1ccc(OC)cc1
Show InChI InChI=1S/C17H19N3OS2/c1-3-18-17(22)20-15(16-5-4-10-23-16)11-14(19-20)12-6-8-13(21-2)9-7-12/h4-10,15H,3,11H2,1-2H3,(H,18,22)
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n/an/a 2.20E+4n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MAOB


Eur J Med Chem 44: 3584-90 (2009)


Article DOI: 10.1016/j.ejmech.2009.02.031
BindingDB Entry DOI: 10.7270/Q2Z60P4F
More data for this
Ligand-Target Pair