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Compile Data Set for Download or QSAR

Found 6 hits of kd for monomerid = 79181   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/an/a 0.532n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its effect on dopamine saturation analysis


J Med Chem 29: 359-69 (1986)


BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/an/a 1.04n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its effect on 5-hydroxytryptamine 2 receptor saturation analysis


J Med Chem 29: 359-69 (1986)


BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Calmodulin-1


(Human)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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antibodypedia
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n/an/an/a 1.00E+3n/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Binding affinity to calmodulin (unknown origin)


J Med Chem 51: 3081-93 (2008)


Article DOI: 10.1021/jm701406e
BindingDB Entry DOI: 10.7270/Q2CN73PF
More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/an/a 3.40E+3n/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to bovine brain CaM by FTPFACE analysis


Eur J Med Chem 116: 36-45 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.045
BindingDB Entry DOI: 10.7270/Q2Q2424Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin


(Bos taurus)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/an/a 5.00E+3n/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+


Eur J Med Chem 116: 36-45 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.045
BindingDB Entry DOI: 10.7270/Q2Q2424Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Rattus norvegicus)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/an/a 1.40E+4n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to Wistar rat serum albumin


Drug Metab Dispos 39: 312-21 (2011)


Article DOI: 10.1124/dmd.110.036095
BindingDB Entry DOI: 10.7270/Q2J104Z4
More data for this
Ligand-Target Pair