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BDBM50326628 2-(2-cycloheptylidenehydrazinyl)-4-(4-nitrophenyl)thiazole::CHEMBL1253926

SMILES: [#8-]-[#7+](=O)-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1

InChI Key: InChIKey=QZZAILZNINUTIG-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50326628   
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))
BDBM50326628
PNG
(2-(2-cycloheptylidenehydrazinyl)-4-(4-nitrophenyl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1csc(NN=C2CCCCCC2)n1
Show InChI InChI=1S/C16H18N4O2S/c21-20(22)14-9-7-12(8-10-14)15-11-23-16(17-15)19-18-13-5-3-1-2-4-6-13/h7-11H,1-6H2,(H,17,19)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.79E+4n/an/an/an/an/an/a



Sapienza University of Rome

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))
BDBM50326628
PNG
(2-(2-cycloheptylidenehydrazinyl)-4-(4-nitrophenyl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1csc(NN=C2CCCCCC2)n1
Show InChI InChI=1S/C16H18N4O2S/c21-20(22)14-9-7-12(8-10-14)15-11-23-16(17-15)19-18-13-5-3-1-2-4-6-13/h7-11H,1-6H2,(H,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sapienza University of Rome

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