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BDBM50265779 (+/-)-1-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(2-methylcyclohexylidene)hydrazine::4-(4-methoxyphenyl)-2-(2-(2-methylcyclohexylidene)hydrazinyl)thiazole::CHEMBL399353::CHEMBL457535

SMILES: COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1

InChI Key: InChIKey=DKRVVZCXRBUGBO-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50265779   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50265779
PNG
((+/-)-1-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(2-met...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-5-3-4-6-15(12)19-20-17-18-16(11-22-17)13-7-9-14(21-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,18,20)
PDB

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PC sid
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Article
PubMed
n/an/a 2.37E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 51: 4874-80 (2008)


Article DOI: 10.1021/jm800132g
BindingDB Entry DOI: 10.7270/Q27P8Z5J
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50265779
PNG
((+/-)-1-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(2-met...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-5-3-4-6-15(12)19-20-17-18-16(11-22-17)13-7-9-14(21-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,18,20)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.76E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 51: 4874-80 (2008)


Article DOI: 10.1021/jm800132g
BindingDB Entry DOI: 10.7270/Q27P8Z5J
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50265779
PNG
((+/-)-1-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(2-met...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-5-3-4-6-15(12)19-20-17-18-16(11-22-17)13-7-9-14(21-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,18,20)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 2.76E+3n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyra...


Bioorg Med Chem 18: 5063-70 (2010)


Article DOI: 10.1016/j.bmc.2010.05.070
BindingDB Entry DOI: 10.7270/Q22F7PD1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50265779
PNG
((+/-)-1-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(2-met...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-5-3-4-6-15(12)19-20-17-18-16(11-22-17)13-7-9-14(21-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,18,20)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.37E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50265779
PNG
((+/-)-1-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(2-met...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-5-3-4-6-15(12)19-20-17-18-16(11-22-17)13-7-9-14(21-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,18,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.37E+3n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyra...


Bioorg Med Chem 18: 5063-70 (2010)


Article DOI: 10.1016/j.bmc.2010.05.070
BindingDB Entry DOI: 10.7270/Q22F7PD1
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50265779
PNG
((+/-)-1-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(2-met...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-5-3-4-6-15(12)19-20-17-18-16(11-22-17)13-7-9-14(21-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,18,20)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.76E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair