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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 264.3
BDBM50164871
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin H


(Capra hircus (Goat))
BDBM50164871
PNG
(1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-ethanone...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H16N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,17H,12H2,1H3
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Article
PubMed
1.75E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of goat liver cathepsin H using Leu-betaNA substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50164871
PNG
(1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-ethanone...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H16N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,17H,12H2,1H3
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Article
PubMed
1.77E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of goat liver cathepsin B using BANA substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50164871
PNG
(1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-ethanone...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H16N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,17H,12H2,1H3
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antibodypedia
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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Università degli Studi di Roma



Assay Description
Monoamine oxidase inhibitory activity of derivatives of 4, dihydro-(1H)-pyrazole.


Chem Biol Drug Des 67: 206-14 (2006)


Article DOI: 10.1111/j.1747-0285.2006.00367.x
BindingDB Entry DOI: 10.7270/Q26W98JB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50164871
PNG
(1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-ethanone...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H16N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,17H,12H2,1H3
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antibodypedia
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Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Università degli Studi di Roma



Assay Description
Monoamine oxidase inhibitory activity of derivatives of 4, dihydro-(1H)-pyrazole.


Chem Biol Drug Des 67: 206-14 (2006)


Article DOI: 10.1111/j.1747-0285.2006.00367.x
BindingDB Entry DOI: 10.7270/Q26W98JB
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164871
PNG
(1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-ethanone...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H16N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,17H,12H2,1H3
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50164871
PNG
(1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-ethanone...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H16N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,17H,12H2,1H3
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Article
PubMed
n/an/a 6.14E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair