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BDBM50272865 1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-((S)-2-methylcyclohexylidene)hydrazine::CHEMBL1242992::CHEMBL497675

SMILES: C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F

InChI Key: InChIKey=GBSDYRSNVCORPF-JTQLQIEISA-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 = 50272865   
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) A


(Homo sapiens (Human))
BDBM50272865
PNG
(1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-((S)-2-me...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/t10-/m0/s1
PDB

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UniProtKB/TrEMBL

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CHEMBL
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Article
PubMed
n/an/a 4.81E+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] B


(Homo sapiens (Human))
BDBM50272865
PNG
(1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-((S)-2-me...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/t10-/m0/s1
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 36.1n/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))
BDBM50272865
PNG
(1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-((S)-2-me...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/t10-/m0/s1
PDB

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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 4.81E+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))
BDBM50272865
PNG
(1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-((S)-2-me...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/t10-/m0/s1
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 36n/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))
BDBM50272865
PNG
(1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-((S)-2-me...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/t10-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 66n/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))
BDBM50272865
PNG
(1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-((S)-2-me...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/t10-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.81E+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