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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'napolitano' 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
Fatty-acid amide hydrolase 1


(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
Fatty-acid amide hydrolase 1


(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
Fatty-acid amide hydrolase 1


(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
Fatty-acid amide hydrolase 1


(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
Fatty-acid amide hydrolase 1


(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
Fatty-acid amide hydrolase 1


(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
Fatty-acid amide hydrolase 1


(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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>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
Fatty-acid amide hydrolase 1


(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
Fatty-acid amide hydrolase 1


(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
Fatty-acid amide hydrolase 1


(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
Fatty-acid amide hydrolase 1


(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
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
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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n/an/a>1.00E+3n/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