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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'merlini' and Initial = 'l'   
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
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50426684
PNG
(CHEMBL2326494)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(c1)N1CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C27H34N4O/c28-27(32)24-14-16-31(22-24)26-13-8-12-25(21-26)30-19-17-29(18-20-30)15-7-2-1-4-9-23-10-5-3-6-11-23/h3,5-6,8,10-14,16,21-22H,1-2,4,7,9,15,17-20H2,(H2,28,32)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50426683
PNG
(CHEMBL2326500)
Show SMILES O=C(NCCCCCCc1ccccc1)Oc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C23H31N3O2/c27-23(25-14-7-2-1-4-9-20-10-5-3-6-11-20)28-22-13-8-12-21(19-22)26-17-15-24-16-18-26/h3,5-6,8,10-13,19,24H,1-2,4,7,9,14-18H2,(H,25,27)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426683
PNG
(CHEMBL2326500)
Show SMILES O=C(NCCCCCCc1ccccc1)Oc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C23H31N3O2/c27-23(25-14-7-2-1-4-9-20-10-5-3-6-11-20)28-22-13-8-12-21(19-22)26-17-15-24-16-18-26/h3,5-6,8,10-13,19,24H,1-2,4,7,9,14-18H2,(H,25,27)
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26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human FAAH using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after 15 mins by beta coun...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50426688
PNG
(CHEMBL2326499)
Show SMILES CN1CCN(CC1)c1cccc(OC(=O)NCCCCCCc2ccccc2)c1
Show InChI InChI=1S/C24H33N3O2/c1-26-16-18-27(19-17-26)22-13-9-14-23(20-22)29-24(28)25-15-8-3-2-5-10-21-11-6-4-7-12-21/h4,6-7,9,11-14,20H,2-3,5,8,10,15-19H2,1H3,(H,25,28)
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240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50426692
PNG
(CHEMBL2326495)
Show SMILES O=C(NCCCCCCc1ccccc1)N1CCN(CC1)c1cccc(c1)-n1cccc1
Show InChI InChI=1S/C27H34N4O/c32-27(28-16-7-2-1-4-11-24-12-5-3-6-13-24)31-21-19-30(20-22-31)26-15-10-14-25(23-26)29-17-8-9-18-29/h3,5-6,8-10,12-15,17-18,23H,1-2,4,7,11,16,19-22H2,(H,28,32)
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263n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50426693
PNG
(CHEMBL2326493)
Show SMILES N#Cc1ccn(c1)-c1cccc(c1)N1CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C27H32N4/c28-22-25-14-16-31(23-25)27-13-8-12-26(21-27)30-19-17-29(18-20-30)15-7-2-1-4-9-24-10-5-3-6-11-24/h3,5-6,8,10-14,16,21,23H,1-2,4,7,9,15,17-20H2
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270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50426686
PNG
(CHEMBL2326502)
Show SMILES Fc1ccc(OCCCCOc2cccc(c2)N2CCNCC2)cc1
Show InChI InChI=1S/C20H25FN2O2/c21-17-6-8-19(9-7-17)24-14-1-2-15-25-20-5-3-4-18(16-20)23-12-10-22-11-13-23/h3-9,16,22H,1-2,10-15H2
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>500n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50426689
PNG
(CHEMBL2326498)
Show SMILES CCCCOc1ccc(NC(=O)Oc2cccc(c2)N2CCNCC2)cc1
Show InChI InChI=1S/C21H27N3O3/c1-2-3-15-26-19-9-7-17(8-10-19)23-21(25)27-20-6-4-5-18(16-20)24-13-11-22-12-14-24/h4-10,16,22H,2-3,11-15H2,1H3,(H,23,25)
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>500n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50426690
PNG
(CHEMBL2326497)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(c1)C(=O)N1CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C28H34N4O2/c29-27(33)25-14-16-32(22-25)26-13-8-12-24(21-26)28(34)31-19-17-30(18-20-31)15-7-2-1-4-9-23-10-5-3-6-11-23/h3,5-6,8,10-14,16,21-22H,1-2,4,7,9,15,17-20H2,(H2,29,33)
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50426691
PNG
(CHEMBL2326496)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(c1)N1CCN(CC1)C(=O)NCCCCCCc1ccccc1
Show InChI InChI=1S/C28H35N5O2/c29-27(34)24-14-16-33(22-24)26-13-8-12-25(21-26)31-17-19-32(20-18-31)28(35)30-15-7-2-1-4-9-23-10-5-3-6-11-23/h3,5-6,8,10-14,16,21-22H,1-2,4,7,9,15,17-20H2,(H2,29,34)(H,30,35)
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>500n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50426685
PNG
(CHEMBL2326503)
Show SMILES CN1CCN(CC1)c1cccc(c1)C(C)=NOC(=O)N1CCCCC1 |w:15.17|
Show InChI InChI=1S/C19H28N4O2/c1-16(20-25-19(24)23-9-4-3-5-10-23)17-7-6-8-18(15-17)22-13-11-21(2)12-14-22/h6-8,15H,3-5,9-14H2,1-2H3
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>500n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50426687
PNG
(CHEMBL2326501)
Show SMILES CCCCCCCOc1ccc(NC(=O)Oc2cccc(c2)N2CCNCC2)cc1
Show InChI InChI=1S/C24H33N3O3/c1-2-3-4-5-6-18-29-22-12-10-20(11-13-22)26-24(28)30-23-9-7-8-21(19-23)27-16-14-25-15-17-27/h7-13,19,25H,2-6,14-18H2,1H3,(H,26,28)
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>500n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
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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n/an/a 1n/an/an/an/an/an/a



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
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
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
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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n/an/a 1n/an/an/an/an/an/a



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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27566
PNG
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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n/an/a 4.5n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1089-103 (2014)


Article DOI: 10.1016/j.bmc.2013.12.031
BindingDB Entry DOI: 10.7270/Q2JS9RX4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27135
PNG
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Show SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 |r|
Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1089-103 (2014)


Article DOI: 10.1016/j.bmc.2013.12.031
BindingDB Entry DOI: 10.7270/Q2JS9RX4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 8n/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
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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n/an/a 10n/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
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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n/an/a 17n/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
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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n/an/a 28n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50316226
PNG
((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)
Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1089-103 (2014)


Article DOI: 10.1016/j.bmc.2013.12.031
BindingDB Entry DOI: 10.7270/Q2JS9RX4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426683
PNG
(CHEMBL2326500)
Show SMILES O=C(NCCCCCCc1ccccc1)Oc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C23H31N3O2/c27-23(25-14-7-2-1-4-9-20-10-5-3-6-11-20)28-22-13-8-12-21(19-22)26-17-15-24-16-18-26/h3,5-6,8,10-13,19,24H,1-2,4,7,9,14-18H2,(H,25,27)
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n/an/a 44n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human FAAH using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after 15 mins by beta coun...


Bioorg Med Chem Lett 23: 492-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50246572
PNG
(4-(4-hydroxyphenyl)-2,3-bis(2-methoxyethylidene)-1...)
Show SMILES COc1cc2n(C)c3c(c(c[nH]c3=O)-c3ccc(O)cc3)c2cc1OC
Show InChI InChI=1S/C20H18N2O4/c1-22-15-9-17(26-3)16(25-2)8-13(15)18-14(10-21-20(24)19(18)22)11-4-6-12(23)7-5-11/h4-10,23H,1-3H3,(H,21,24)
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n/an/a 60n/an/an/an/an/an/a



Universita di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant RET active protein (unknown origin) by immunoblotting


J Med Chem 51: 7777-87 (2008)


Article DOI: 10.1021/jm8007823
BindingDB Entry DOI: 10.7270/Q2DN44X5
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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n/an/a 69n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50445952
PNG
(CHEMBL3105886)
Show SMILES NC(=O)n1ccc2ccc(nc12)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H22N4O/c21-20(25)24-13-10-17-8-9-18(22-19(17)24)16-6-4-15(5-7-16)14-23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H2,21,25)
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n/an/a 70n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1089-103 (2014)


Article DOI: 10.1016/j.bmc.2013.12.031
BindingDB Entry DOI: 10.7270/Q2JS9RX4
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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n/an/a 84n/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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50246605
PNG
(4-(3-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyri...)
Show SMILES COc1cc2n(C)c3c(c(c[nH]c3=O)-c3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C20H18N2O4/c1-22-15-9-17(26-3)16(25-2)8-13(15)18-14(10-21-20(24)19(18)22)11-5-4-6-12(23)7-11/h4-10,23H,1-3H3,(H,21,24)
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Universita di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant RET active protein (unknown origin) by immunoblotting


J Med Chem 51: 7777-87 (2008)


Article DOI: 10.1021/jm8007823
BindingDB Entry DOI: 10.7270/Q2DN44X5
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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n/an/a 100n/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))
BDBM50246571
PNG
(4-(4-hydroxyphenyl)-6,7-dimethoxy-2H-pyrido[3,4-b]...)
Show SMILES COc1cc2[nH]c3c(c(c[nH]c3=O)-c3ccc(O)cc3)c2cc1OC
Show InChI InChI=1S/C19H16N2O4/c1-24-15-7-12-14(8-16(15)25-2)21-18-17(12)13(9-20-19(18)23)10-3-5-11(22)6-4-10/h3-9,21-22H,1-2H3,(H,20,23)
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n/an/a 110n/an/an/an/an/an/a



Universita di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant RET active protein (unknown origin) by immunoblotting


J Med Chem 51: 7777-87 (2008)


Article DOI: 10.1021/jm8007823
BindingDB Entry DOI: 10.7270/Q2DN44X5
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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n/an/a 112n/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
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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n/an/a 116n/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
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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n/an/a 200n/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
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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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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50445970
PNG
(CHEMBL3105890)
Show SMILES NC(=O)n1ccc2ccc(nc12)N1CCCC1
Show InChI InChI=1S/C12H14N4O/c13-12(17)16-8-5-9-3-4-10(14-11(9)16)15-6-1-2-7-15/h3-5,8H,1-2,6-7H2,(H2,13,17)
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1089-103 (2014)


Article DOI: 10.1016/j.bmc.2013.12.031
BindingDB Entry DOI: 10.7270/Q2JS9RX4
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))
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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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))
BDBM50246604
PNG
(6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]in...)
Show SMILES COc1cc2n(C)c3c(c(c[nH]c3=O)-c3ccccc3)c2cc1OC
Show InChI InChI=1S/C20H18N2O3/c1-22-15-10-17(25-3)16(24-2)9-13(15)18-14(11-21-20(23)19(18)22)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,21,23)
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n/an/a 250n/an/an/an/an/an/a



Universita di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant RET active protein (unknown origin) by immunoblotting


J Med Chem 51: 7777-87 (2008)


Article DOI: 10.1021/jm8007823
BindingDB Entry DOI: 10.7270/Q2DN44X5
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50445969
PNG
(CHEMBL3105876)
Show SMILES NC(=O)n1ccc2ccc(nc12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-14(18)17-9-8-11-6-7-12(16-13(11)17)10-4-2-1-3-5-10/h1-9H,(H2,15,18)
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n/an/a 270n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1089-103 (2014)


Article DOI: 10.1016/j.bmc.2013.12.031
BindingDB Entry DOI: 10.7270/Q2JS9RX4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50445968
PNG
(CHEMBL3105879)
Show SMILES NC(=O)n1ccc2ccc(nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C14H10FN3O/c15-11-4-1-9(2-5-11)12-6-3-10-7-8-18(14(16)19)13(10)17-12/h1-8H,(H2,16,19)
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n/an/a 270n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1089-103 (2014)


Article DOI: 10.1016/j.bmc.2013.12.031
BindingDB Entry DOI: 10.7270/Q2JS9RX4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50445967
PNG
(CHEMBL3105888)
Show SMILES NC(=O)n1ccc2ccc(nc12)-c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C19H20N4O/c20-19(24)23-12-9-16-7-8-17(21-18(16)23)15-5-3-14(4-6-15)13-22-10-1-2-11-22/h3-9,12H,1-2,10-11,13H2,(H2,20,24)
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n/an/a 280n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1089-103 (2014)


Article DOI: 10.1016/j.bmc.2013.12.031
BindingDB Entry DOI: 10.7270/Q2JS9RX4
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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n/an/a 310n/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))
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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n/an/a 320n/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))
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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n/an/a 330n/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))
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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n/an/a 460n/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))
BDBM50246573
PNG
(4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol...)
Show SMILES Cn1c2ccccc2c2c(c[nH]c(=O)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C18H14N2O2/c1-20-15-5-3-2-4-13(15)16-14(10-19-18(22)17(16)20)11-6-8-12(21)9-7-11/h2-10,21H,1H3,(H,19,22)
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n/an/a 480n/an/an/an/an/an/a



Universita di Milano

Curated by ChEMBL


Assay Description
Inhibition of recombinant RET active protein (unknown origin) by immunoblotting


J Med Chem 51: 7777-87 (2008)


Article DOI: 10.1021/jm8007823
BindingDB Entry DOI: 10.7270/Q2DN44X5
More data for this
Ligand-Target Pair
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