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Compile Data Set for Download or QSAR

Found 240 hits with Last Name = 'maccarrone' and Initial = 'm'   
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))		BDBM50395423
PNG
(CHEMBL2165084)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1
Show InChI InChI=1S/C24H27N3O3/c25-23(28)20-14-16-27(18-20)21-12-8-13-22(17-21)30-24(29)26-15-7-2-1-4-9-19-10-5-3-6-11-19/h3,5-6,8,10-14,16-18H,1-2,4,7,9,15H2,(H2,25,28)(H,26,29)
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 0.160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50395424
PNG
(CHEMBL2165083)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCCCCCCCC#C)c1
Show InChI InChI=1S/C23H29N3O3/c1-2-3-4-5-6-7-8-9-10-15-25-23(28)29-21-13-11-12-20(17-21)26-16-14-19(18-26)22(24)27/h1,11-14,16-18H,3-10,15H2,(H2,24,27)(H,25,28)
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 0.180n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50131925
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)
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 0.180n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-7-OH-DPAT from rat brain membrane D3 receptor expressed in Sf9 cells incubated for 60 mins by liquid scintillation counting meth...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50528930
PNG
(CHEMBL4471658)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)
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 0.230n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50395421
PNG
(CHEMBL2165094)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1
Show InChI InChI=1S/C25H28N2O4/c1-18-16-22(24(26)28)23(30-18)20-13-9-14-21(17-20)31-25(29)27-15-8-3-2-5-10-19-11-6-4-7-12-19/h4,6-7,9,11-14,16-17H,2-3,5,8,10,15H2,1H3,(H2,26,28)(H,27,29)
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 0.490n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50395420
PNG
(CHEMBL2165070)
Show SMILES Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1
Show InChI InChI=1S/C25H28N2O3S/c1-18-16-22(24(26)28)23(31-18)20-13-9-14-21(17-20)30-25(29)27-15-8-3-2-5-10-19-11-6-4-7-12-19/h4,6-7,9,11-14,16-17H,2-3,5,8,10,15H2,1H3,(H2,26,28)(H,27,29)
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 0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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 1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50395427
PNG
(CHEMBL2165073)
Show SMILES Cc1oc(cc1C(N)=O)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1
Show InChI InChI=1S/C25H28N2O4/c1-18-22(24(26)28)17-23(30-18)20-13-9-14-21(16-20)31-25(29)27-15-8-3-2-5-10-19-11-6-4-7-12-19/h4,6-7,9,11-14,16-17H,2-3,5,8,10,15H2,1H3,(H2,26,28)(H,27,29)
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 4.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50528926
PNG
(CHEMBL4565200)
Show SMILES Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H28N4O3S/c1-18-16-22(24(26)30)23(33-18)19-6-5-9-21(17-19)32-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)
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 6.90n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50395442
PNG
(CHEMBL2165080)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCOCCOc2ccc(F)cc2F)c1
Show InChI InChI=1S/C22H21F2N3O5/c23-16-4-5-20(19(24)12-16)31-11-10-30-9-7-26-22(29)32-18-3-1-2-17(13-18)27-8-6-15(14-27)21(25)28/h1-6,8,12-14H,7,9-11H2,(H2,25,28)(H,26,29)
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 7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50395444
PNG
(CHEMBL2165078)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCOCCOc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22FN3O5/c23-17-4-6-19(7-5-17)30-13-12-29-11-9-25-22(28)31-20-3-1-2-18(14-20)26-10-8-16(15-26)21(24)27/h1-8,10,14-15H,9,11-13H2,(H2,24,27)(H,25,28)
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 8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
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))		BDBM50395441
PNG
(CHEMBL2165081)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCOCCOc2c(F)cc(F)cc2F)c1
Show InChI InChI=1S/C22H20F3N3O5/c23-15-10-18(24)20(19(25)11-15)32-9-8-31-7-5-27-22(30)33-17-3-1-2-16(12-17)28-6-4-14(13-28)21(26)29/h1-4,6,10-13H,5,7-9H2,(H2,26,29)(H,27,30)
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 11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
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


(Mus musculus (mouse))		BDBM50528925
PNG
(CHEMBL4540218)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)
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 16n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50528924
PNG
(CHEMBL4473519)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C24H27N5O3/c25-23(30)19-9-11-29(18-19)21-7-4-8-22(17-21)32-24(31)26-10-12-27-13-15-28(16-14-27)20-5-2-1-3-6-20/h1-9,11,17-18H,10,12-16H2,(H2,25,30)(H,26,31)
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 16n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50395443
PNG
(CHEMBL2165079)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCOCCOc2ccccc2F)c1
Show InChI InChI=1S/C22H22FN3O5/c23-19-6-1-2-7-20(19)30-13-12-29-11-9-25-22(28)31-18-5-3-4-17(14-18)26-10-8-16(15-26)21(24)27/h1-8,10,14-15H,9,11-13H2,(H2,24,27)(H,25,28)
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 18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528925
PNG
(CHEMBL4540218)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)
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 19n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528925
PNG
(CHEMBL4540218)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)
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 19n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50395445
PNG
(CHEMBL2165077)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCOCCOc2ccccc2)c1
Show InChI InChI=1S/C22H23N3O5/c23-21(26)17-9-11-25(16-17)18-5-4-8-20(15-18)30-22(27)24-10-12-28-13-14-29-19-6-2-1-3-7-19/h1-9,11,15-16H,10,12-14H2,(H2,23,26)(H,24,27)
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 23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50528932
PNG
(CHEMBL4554053)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)
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 25n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
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
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50528925
PNG
(CHEMBL4540218)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)
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 29n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50528925
PNG
(CHEMBL4540218)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)
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 30n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50395425
PNG
(CHEMBL2165082)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C18H21N3O3/c19-17(22)13-9-10-21(12-13)15-7-4-8-16(11-15)24-18(23)20-14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6H2,(H2,19,22)(H,20,23)
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 32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528932
PNG
(CHEMBL4554053)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)
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 34n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528932
PNG
(CHEMBL4554053)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)
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 34n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50528931
PNG
(CHEMBL4520982)
Show SMILES Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCN3CCN(CC3)c3ccccc3)c2)n1C
Show InChI InChI=1S/C26H31N5O3/c1-19-17-23(25(27)32)24(29(19)2)20-7-6-10-22(18-20)34-26(33)28-11-12-30-13-15-31(16-14-30)21-8-4-3-5-9-21/h3-10,17-18H,11-16H2,1-2H3,(H2,27,32)(H,28,33)
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 46n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50528933
PNG
(CHEMBL4449756)
Show SMILES Cc1cc(C(N)=O)c([nH]1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H29N5O3/c1-18-16-22(24(26)31)23(28-18)19-6-5-9-21(17-19)33-25(32)27-10-11-29-12-14-30(15-13-29)20-7-3-2-4-8-20/h2-9,16-17,28H,10-15H2,1H3,(H2,26,31)(H,27,32)
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 50n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50528927
PNG
(CHEMBL4517296)
Show SMILES Cn1c(ccc1-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1)C(N)=O
Show InChI InChI=1S/C25H29N5O3/c1-28-22(10-11-23(28)24(26)31)19-6-5-9-21(18-19)33-25(32)27-12-13-29-14-16-30(17-15-29)20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3,(H2,26,31)(H,27,32)
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 56n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50528927
PNG
(CHEMBL4517296)
Show SMILES Cn1c(ccc1-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1)C(N)=O
Show InChI InChI=1S/C25H29N5O3/c1-28-22(10-11-23(28)24(26)31)19-6-5-9-21(18-19)33-25(32)27-12-13-29-14-16-30(17-15-29)20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3,(H2,26,31)(H,27,32)
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 56n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50395426
PNG
(CHEMBL2165095)
Show SMILES CCCCNC(=O)Oc1cccc(c1)-n1ccc(c1)C(N)=O
Show InChI InChI=1S/C16H19N3O3/c1-2-3-8-18-16(21)22-14-6-4-5-13(10-14)19-9-7-12(11-19)15(17)20/h4-7,9-11H,2-3,8H2,1H3,(H2,17,20)(H,18,21)
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 60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50528932
PNG
(CHEMBL4554053)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)
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 66n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50528932
PNG
(CHEMBL4554053)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)
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 66n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528927
PNG
(CHEMBL4517296)
Show SMILES Cn1c(ccc1-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1)C(N)=O
Show InChI InChI=1S/C25H29N5O3/c1-28-22(10-11-23(28)24(26)31)19-6-5-9-21(18-19)33-25(32)27-12-13-29-14-16-30(17-15-29)20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3,(H2,26,31)(H,27,32)
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 76n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528927
PNG
(CHEMBL4517296)
Show SMILES Cn1c(ccc1-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1)C(N)=O
Show InChI InChI=1S/C25H29N5O3/c1-28-22(10-11-23(28)24(26)31)19-6-5-9-21(18-19)33-25(32)27-12-13-29-14-16-30(17-15-29)20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3,(H2,26,31)(H,27,32)
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 76n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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 90n/an/an/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat forebrain membrane which expresses Cannabinoid receptor 1 in the presence of PMSF

J Med Chem 45: 3709-20 (2002)


BindingDB Entry DOI: 10.7270/Q2WD3ZXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))		BDBM26144
PNG
(1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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 100n/an/an/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat forebrain membrane which expresses Cannabinoid receptor 2 in the presence of PMSF

J Med Chem 45: 3709-20 (2002)


BindingDB Entry DOI: 10.7270/Q2WD3ZXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM26144
PNG
(1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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 100n/an/an/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat forebrain membrane which expresses Cannabinoid receptor 1 in the presence of PMSF

J Med Chem 45: 3709-20 (2002)


BindingDB Entry DOI: 10.7270/Q2WD3ZXN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528924
PNG
(CHEMBL4473519)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C24H27N5O3/c25-23(30)19-9-11-29(18-19)21-7-4-8-22(17-21)32-24(31)26-10-12-27-13-15-28(16-14-27)20-5-2-1-3-6-20/h1-9,11,17-18H,10,12-16H2,(H2,25,30)(H,26,31)
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 105n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528930
PNG
(CHEMBL4471658)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)
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 105n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528924
PNG
(CHEMBL4473519)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C24H27N5O3/c25-23(30)19-9-11-29(18-19)21-7-4-8-22(17-21)32-24(31)26-10-12-27-13-15-28(16-14-27)20-5-2-1-3-6-20/h1-9,11,17-18H,10,12-16H2,(H2,25,30)(H,26,31)
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 105n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528930
PNG
(CHEMBL4471658)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)
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 105n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50528930
PNG
(CHEMBL4471658)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)
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 138n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50528930
PNG
(CHEMBL4471658)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)
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 138n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))		BDBM50395422
PNG
(CHEMBL2165090)
Show SMILES CCCCNC(=O)Oc1cccc(c1)-c1oc(C)cc1C(N)=O
Show InChI InChI=1S/C17H20N2O4/c1-3-4-8-19-17(21)23-13-7-5-6-12(10-13)15-14(16(18)20)9-11(2)22-15/h5-7,9-10H,3-4,8H2,1-2H3,(H2,18,20)(H,19,21)
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 140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...

J Med Chem 55: 6898-915 (2012)


Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528926
PNG
(CHEMBL4565200)
Show SMILES Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H28N4O3S/c1-18-16-22(24(26)30)23(33-18)19-6-5-9-21(17-19)32-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)
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 148n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50528926
PNG
(CHEMBL4565200)
Show SMILES Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C25H28N4O3S/c1-18-16-22(24(26)30)23(33-18)19-6-5-9-21(17-19)32-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)
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 148n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50117245
PNG
(12-Hydroxy-icosa-5,8,10,14-tetraenoic acid (2-hydr...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO3/c1-2-3-4-5-10-13-16-21(25)17-14-11-8-6-7-9-12-15-18-22(26)23-19-20-24/h7-11,13-14,17,21,24-25H,2-6,12,15-16,18-20H2,1H3,(H,23,26)/b9-7-,11-8-,13-10-,17-14+/t21-/m1/s1
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 150n/an/an/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat forebrain membrane which expresses Cannabinoid receptor 1 in the presence of PMSF

J Med Chem 45: 3709-20 (2002)


BindingDB Entry DOI: 10.7270/Q2WD3ZXN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50528924
PNG
(CHEMBL4473519)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C24H27N5O3/c25-23(30)19-9-11-29(18-19)21-7-4-8-22(17-21)32-24(31)26-10-12-27-13-15-28(16-14-27)20-5-2-1-3-6-20/h1-9,11,17-18H,10,12-16H2,(H2,25,30)(H,26,31)
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 186n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
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