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BDBM50304160 3-(2-Thienyl)-2-(N-allylthiocarbamoyl)-3,3a,4,5,6,7-hexahydro-2H-indazol::CHEMBL596228

SMILES: CCCNC(=S)N1N=C2CCCCC2C1c1cccs1

InChI Key: InChIKey=HSFDEUAMTDCGRR-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50304160   
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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304160
PNG
(3-(2-Thienyl)-2-(N-allylthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES CCCNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1S/C15H21N3S2/c1-2-9-16-15(19)18-14(13-8-5-10-20-13)11-6-3-4-7-12(11)17-18/h5,8,10-11,14H,2-4,6-7,9H2,1H3,(H,16,19)
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PC cid
PC sid
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Article
PubMed
880n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304160
PNG
(3-(2-Thienyl)-2-(N-allylthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES CCCNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1S/C15H21N3S2/c1-2-9-16-15(19)18-14(13-8-5-10-20-13)11-6-3-4-7-12(11)17-18/h5,8,10-11,14H,2-4,6-7,9H2,1H3,(H,16,19)
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PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304160
PNG
(3-(2-Thienyl)-2-(N-allylthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES CCCNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1S/C15H21N3S2/c1-2-9-16-15(19)18-14(13-8-5-10-20-13)11-6-3-4-7-12(11)17-18/h5,8,10-11,14H,2-4,6-7,9H2,1H3,(H,16,19)
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n/an/a 2.05E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304160
PNG
(3-(2-Thienyl)-2-(N-allylthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES CCCNC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1S/C15H21N3S2/c1-2-9-16-15(19)18-14(13-8-5-10-20-13)11-6-3-4-7-12(11)17-18/h5,8,10-11,14H,2-4,6-7,9H2,1H3,(H,16,19)
PDB
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Article
PubMed
n/an/a 7.86E+4n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair