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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'nannei' and Initial = 'r'   
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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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n/an/a 1n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]AB-MECA from human recombinant A3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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n/an/a 1n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8 from human recombinant CCKA receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323051
PNG
(1-Biphenyl-3-yl-ethanone, O-(1-naphthylaminocarbon...)
Show SMILES CC(=NOC(=O)Nc1cccc2ccccc12)c1cccc(c1)-c1ccccc1 |w:2.2|
Show InChI InChI=1S/C25H20N2O2/c1-18(21-13-7-14-22(17-21)19-9-3-2-4-10-19)27-29-25(28)26-24-16-8-12-20-11-5-6-15-23(20)24/h2-17H,1H3,(H,26,28)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323050
PNG
(1-Biphenyl-3-yl-ethanone, O-(4-fluorophenylaminoca...)
Show SMILES CC(=NOC(=O)Nc1ccc(F)cc1)c1cccc(c1)-c1ccccc1 |w:2.2|
Show InChI InChI=1S/C21H17FN2O2/c1-15(24-26-21(25)23-20-12-10-19(22)11-13-20)17-8-5-9-18(14-17)16-6-3-2-4-7-16/h2-14H,1H3,(H,23,25)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323049
PNG
(1-Biphenyl-3-yl-ethanone, O-(4-methoxyphenylaminoc...)
Show SMILES COc1ccc(NC(=O)ON=C(C)c2cccc(c2)-c2ccccc2)cc1 |w:10.9|
Show InChI InChI=1S/C22H20N2O3/c1-16(18-9-6-10-19(15-18)17-7-4-3-5-8-17)24-27-22(25)23-20-11-13-21(26-2)14-12-20/h3-15H,1-2H3,(H,23,25)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50212747
PNG
((E)-1-(4-((5,6-dimethoxy-2-oxoindolin-3-ylidene)me...)
Show SMILES COc1cc2NC(=O)\C(=C\c3ccc(NC(=O)Nc4ccc(O)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C24H21N3O5/c1-31-21-12-18-19(23(29)27-20(18)13-22(21)32-2)11-14-3-5-15(6-4-14)25-24(30)26-16-7-9-17(28)10-8-16/h3-13,28H,1-2H3,(H,27,29)(H2,25,26,30)/b19-11+
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Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of RET in mouse NIH3T3MEN2A cells


Bioorg Med Chem Lett 17: 3962-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.091
BindingDB Entry DOI: 10.7270/Q2HH6JSN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323052
PNG
(1-Biphenyl-3-yl-ethanone, O-(phenylaminocarbonyl)o...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1ccccc1 |w:2.2|
Show InChI InChI=1S/C21H18N2O2/c1-16(23-25-21(24)22-20-13-6-3-7-14-20)18-11-8-12-19(15-18)17-9-4-2-5-10-17/h2-15H,1H3,(H,22,24)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323042
PNG
(1-(3'-Aminocarbonyl-biphenyl-3-yl)-ethanone, O-(ph...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccc(c1)C(N)=O |w:2.2|
Show InChI InChI=1S/C22H19N3O3/c1-15(25-28-22(27)24-20-11-3-2-4-12-20)16-7-5-8-17(13-16)18-9-6-10-19(14-18)21(23)26/h2-14H,1H3,(H2,23,26)(H,24,27)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323047
PNG
(1-Biphenyl-3-yl-ethanone, O-[(4-pentylphenyl)amino...)
Show SMILES CC(=NOC(=O)NCCCCCc1ccccc1)c1cccc(c1)-c1ccccc1 |w:2.2|
Show InChI InChI=1S/C26H28N2O2/c1-21(24-17-11-18-25(20-24)23-15-8-3-9-16-23)28-30-26(29)27-19-10-4-7-14-22-12-5-2-6-13-22/h2-3,5-6,8-9,11-13,15-18,20H,4,7,10,14,19H2,1H3,(H,27,29)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323043
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(1-piperidi...)
Show SMILES CC(=NOC(=O)N1CCCCC1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C18H20N2O2S/c1-14(19-22-18(21)20-10-3-2-4-11-20)15-7-5-8-16(13-15)17-9-6-12-23-17/h5-9,12-13H,2-4,10-11H2,1H3
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323044
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(dodecylami...)
Show SMILES CCCCCCCCCCCCNC(=O)ON=C(C)c1cccc(c1)-c1cccs1 |w:16.15|
Show InChI InChI=1S/C25H36N2O2S/c1-3-4-5-6-7-8-9-10-11-12-18-26-25(28)29-27-21(2)22-15-13-16-23(20-22)24-17-14-19-30-24/h13-17,19-20H,3-12,18H2,1-2H3,(H,26,28)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50212748
PNG
(3-(4-hydroxybenzylidene)-5,6-dimethoxyindolin-2-on...)
Show SMILES COc1cc2NC(=O)\C(=C\c3ccc(O)cc3)c2cc1OC
Show InChI InChI=1S/C17H15NO4/c1-21-15-8-12-13(7-10-3-5-11(19)6-4-10)17(20)18-14(12)9-16(15)22-2/h3-9,19H,1-2H3,(H,18,20)/b13-7+
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Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of RET in mouse NIH3T3MEN2A cells


Bioorg Med Chem Lett 17: 3962-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.091
BindingDB Entry DOI: 10.7270/Q2HH6JSN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323057
PNG
(1-(4-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1ccc(cc1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-6-3-2-4-7-17)15-9-11-16(12-10-15)18-8-5-13-24-18/h2-13H,1H3,(H,20,22)
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Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50212745
PNG
((E)-1-(4-((5,6-dimethoxy-2-oxoindolin-3-ylidene)me...)
Show SMILES COc1cc2NC(=O)\C(=C\c3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C24H21N3O4/c1-30-21-13-18-19(23(28)27-20(18)14-22(21)31-2)12-15-8-10-17(11-9-15)26-24(29)25-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,27,28)(H2,25,26,29)/b19-12+
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Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of RET in mouse NIH3T3MEN2A cells


Bioorg Med Chem Lett 17: 3962-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.091
BindingDB Entry DOI: 10.7270/Q2HH6JSN
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293352
PNG
(CHEMBL551486 | N-Hydroxy-E-3-[4'-hydroxymethylbiph...)
Show SMILES OCc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c18-11-13-3-8-15(9-4-13)14-6-1-12(2-7-14)5-10-16(19)17-20/h1-10,18,20H,11H2,(H,17,19)/b10-5+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323046
PNG
(1-Biphenyl-3-yl-ethanone, O-(1-piperidinocarbonyl)...)
Show SMILES CC(=NOC(=O)N1CCCCC1)c1cccc(c1)-c1ccccc1 |w:2.2|
Show InChI InChI=1S/C20H22N2O2/c1-16(21-24-20(23)22-13-6-3-7-14-22)18-11-8-12-19(15-18)17-9-4-2-5-10-17/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323048
PNG
(1-Biphenyl-3-yl-ethanone, O-[(5-benzo[b]thiophenyl...)
Show SMILES CC(=NOC(=O)Nc1ccc2sccc2c1)c1cccc(c1)-c1ccccc1 |w:2.2|
Show InChI InChI=1S/C23H18N2O2S/c1-16(18-8-5-9-19(14-18)17-6-3-2-4-7-17)25-27-23(26)24-21-10-11-22-20(15-21)12-13-28-22/h2-15H,1H3,(H,24,26)
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n/an/a 232n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293353
PNG
(CHEMBL539156 | N-Hydroxy-E-3-[4-(4-hydroxyphenyl)-...)
Show SMILES ONC(=O)\C=C\C1CCC(CC1)c1ccc(O)cc1 |(22.52,-21.14,;21.19,-21.91,;19.85,-21.14,;19.85,-19.6,;18.52,-21.91,;17.19,-21.14,;15.85,-21.91,;15.85,-23.45,;14.53,-24.22,;13.19,-23.46,;13.18,-21.92,;14.52,-21.15,;11.86,-24.24,;10.52,-23.48,;9.2,-24.25,;9.2,-25.79,;7.86,-26.56,;10.53,-26.56,;11.87,-25.79,)|
Show InChI InChI=1S/C15H19NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h3,6-12,17,19H,1-2,4-5H2,(H,16,18)/b10-3+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293354
PNG
(CHEMBL555906 | N-hydroxy-E-3-[4'-Hydroxybiphenyl-3...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H13NO3/c17-14-7-5-12(6-8-14)13-3-1-2-11(10-13)4-9-15(18)16-19/h1-10,17,19H,(H,16,18)/b9-4+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293355
PNG
(CHEMBL538710 | N-Hydroxy-E-3-(4'-cyanobiphenyl-4-y...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H12N2O2/c17-11-13-3-8-15(9-4-13)14-6-1-12(2-7-14)5-10-16(19)18-20/h1-10,20H,(H,18,19)/b10-5+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323058
PNG
(1-Biphenyl-4-yl-ethanone, O-(1-naphthylaminocarbon...)
Show SMILES CC(=NOC(=O)Nc1cccc2ccccc12)c1ccc(cc1)-c1ccccc1 |w:2.2|
Show InChI InChI=1S/C25H20N2O2/c1-18(19-14-16-21(17-15-19)20-8-3-2-4-9-20)27-29-25(28)26-24-13-7-11-22-10-5-6-12-23(22)24/h2-17H,1H3,(H,26,28)
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n/an/a 401n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293356
PNG
(CHEMBL561212 | N-Hydroxy-E-3-(4'-thiophen-2-yl-phe...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C13H11NO2S/c15-13(14-16)8-5-10-3-6-11(7-4-10)12-2-1-9-17-12/h1-9,16H,(H,14,15)/b8-5+
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n/an/a 450n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293357
PNG
(CHEMBL565140 | N-Hydroxy-E-3-[3'-chloro-4'-hydroxy...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C15H12ClNO3/c16-13-9-12(6-7-14(13)18)11-4-1-10(2-5-11)3-8-15(19)17-20/h1-9,18,20H,(H,17,19)/b8-3+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50212751
PNG
((E)-1-(4-((5,6-dimethoxy-2-oxoindolin-3-ylidene)me...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(\C=C3\C(=O)Nc4cc(OC)c(OC)cc34)cc2)cc1
Show InChI InChI=1S/C25H23N3O5/c1-31-18-10-8-17(9-11-18)27-25(30)26-16-6-4-15(5-7-16)12-20-19-13-22(32-2)23(33-3)14-21(19)28-24(20)29/h4-14H,1-3H3,(H,28,29)(H2,26,27,30)/b20-12+
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n/an/a 580n/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of RET in mouse NIH3T3MEN2A cells


Bioorg Med Chem Lett 17: 3962-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.091
BindingDB Entry DOI: 10.7270/Q2HH6JSN
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293358
PNG
(CHEMBL556332 | N-Hydroxy-E-3-(4'-hydroxybiphenyl-4...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H13NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h1-10,17,19H,(H,16,18)/b10-3+
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n/an/a 590n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293359
PNG
(5-(Biphenyl-4-yl)-pentanoic acid N-hydroxyamide | ...)
Show SMILES ONC(=O)CCCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H19NO2/c19-17(18-20)9-5-4-6-14-10-12-16(13-11-14)15-7-2-1-3-8-15/h1-3,7-8,10-13,20H,4-6,9H2,(H,18,19)
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323059
PNG
(1-Biphenyl-4-yl-ethanone, O-(phenylaminocarbonyl)o...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1ccc(cc1)-c1ccccc1 |w:2.2|
Show InChI InChI=1S/C21H18N2O2/c1-16(23-25-21(24)22-20-10-6-3-7-11-20)17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,1H3,(H,22,24)
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n/an/a 760n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293360
PNG
(CHEMBL556532 | N-Hydroxy-E-3-(biphenyl-4-yl)-acryl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H13NO2/c17-15(16-18)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11,18H,(H,16,17)/b11-8+
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n/an/a 820n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323056
PNG
(1-[4-(cyclohexyl)-phenyl]-ethanone,O-(1-naphthylam...)
Show SMILES CC(=NOC(=O)Nc1cccc2ccccc12)c1ccc(cc1)C1CCCCC1 |w:2.2|
Show InChI InChI=1S/C25H26N2O2/c1-18(19-14-16-21(17-15-19)20-8-3-2-4-9-20)27-29-25(28)26-24-13-7-11-22-10-5-6-12-23(22)24/h5-7,10-17,20H,2-4,8-9H2,1H3,(H,26,28)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323055
PNG
(1-[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-ethanone,O...)
Show SMILES CC(=NOC(=O)Nc1cccc2ccccc12)c1ccc(cc1)-n1c(C)ccc1C |w:2.2|
Show InChI InChI=1S/C25H23N3O2/c1-17-11-12-18(2)28(17)22-15-13-20(14-16-22)19(3)27-30-25(29)26-24-10-6-8-21-7-4-5-9-23(21)24/h4-16H,1-3H3,(H,26,29)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50323054
PNG
(1-[2,2']Bithiophenyl-5-yl-ethanone, O-(1-naphthyla...)
Show SMILES CC(=NOC(=O)Nc1cccc2ccccc12)c1ccc(s1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C21H16N2O2S2/c1-14(18-11-12-20(27-18)19-10-5-13-26-19)23-25-21(24)22-17-9-4-7-15-6-2-3-8-16(15)17/h2-13H,1H3,(H,22,24)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 1.16E+3n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293363
PNG
(CHEMBL552750 | E,E-5-(4'-Cyano-biphenyl-4-yl)-pent...)
Show SMILES ONC(=O)\C=C\C=C\c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H14N2O2/c19-13-15-7-11-17(12-8-15)16-9-5-14(6-10-16)3-1-2-4-18(21)20-22/h1-12,22H,(H,20,21)/b3-1+,4-2+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293362
PNG
(CHEMBL538713 | N-Hydroxy-E-3-[4-(1H-indol-5-yl)-ph...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C17H14N2O2/c20-17(19-21)8-3-12-1-4-13(5-2-12)14-6-7-16-15(11-14)9-10-18-16/h1-11,18,21H,(H,19,20)/b8-3+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293364
PNG
(CHEMBL551151 | N-Hydroxy-3-(4'-hydroxybiphenyl-4-y...)
Show SMILES ONC(=O)CCc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H15NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h1-2,4-9,17,19H,3,10H2,(H,16,18)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293365
PNG
(CHEMBL557066 | N-Hydroxy-E-3-(4'-chlorobiphenyl-4-...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClNO2/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)17-19/h1-10,19H,(H,17,18)/b10-3+
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n/an/a 1.86E+3n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50212752
PNG
((E)-N-(4-((5,6-dimethoxy-2-oxoindolin-3-ylidene)me...)
Show SMILES COc1cc2NC(=O)\C(=C\c3ccc(NC(=O)N4CCN(C)CC4)cc3)c2cc1OC
Show InChI InChI=1S/C23H26N4O4/c1-26-8-10-27(11-9-26)23(29)24-16-6-4-15(5-7-16)12-18-17-13-20(30-2)21(31-3)14-19(17)25-22(18)28/h4-7,12-14H,8-11H2,1-3H3,(H,24,29)(H,25,28)/b18-12+
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n/an/a>3.00E+3n/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of RET in mouse NIH3T3MEN2A cells


Bioorg Med Chem Lett 17: 3962-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.091
BindingDB Entry DOI: 10.7270/Q2HH6JSN
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293366
PNG
(CHEMBL554573 | N-Hydroxy-E-3-(4-pyridin-4-yl-pheny...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C14H12N2O2/c17-14(16-18)6-3-11-1-4-12(5-2-11)13-7-9-15-10-8-13/h1-10,18H,(H,16,17)/b6-3+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293367
PNG
(CHEMBL538712 | N-Hydroxy-E-3-[4'-dimethylaminobiph...)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C17H18N2O2/c1-19(2)16-10-8-15(9-11-16)14-6-3-13(4-7-14)5-12-17(20)18-21/h3-12,21H,1-2H3,(H,18,20)/b12-5+
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n/an/a>5.00E+3n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293368
PNG
(CHEMBL538967 | E,E-5-Biphenyl-4-yl-penta-2,4-dieno...)
Show SMILES ONC(=O)\C=C\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H15NO2/c19-17(18-20)9-5-4-6-14-10-12-16(13-11-14)15-7-2-1-3-8-15/h1-13,20H,(H,18,19)/b6-4+,9-5+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293369
PNG
(CHEMBL538364 | E,E-5-(4'-Methoxybiphenyl-4-yl)-pen...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C18H17NO3/c1-22-17-12-10-16(11-13-17)15-8-6-14(7-9-15)4-2-3-5-18(20)19-21/h2-13,21H,1H3,(H,19,20)/b4-2+,5-3+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H](-)CGP 12177 from human recombinant beta2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL 43694 from human recombinant 5HT3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]CYP from 5HT1B receptor expressed in rat cerebral cortex


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ 29548 from human recombinant TXA2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
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