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Compile Data Set for Download or QSAR

Found 775 hits with Last Name = 'tarzia' and Initial = 'g'   
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 A2


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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0.100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.200n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.263n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane


Bioorg Med Chem 19: 4910-6 (2011)


Article DOI: 10.1016/j.bmc.2011.06.063
BindingDB Entry DOI: 10.7270/Q26T0NW8
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85372
PNG
(CAS_121-75-5 | MLT | Malathion)
Show SMILES CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
Show InChI InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
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0.290n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.300n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.339n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane


Bioorg Med Chem 19: 4910-6 (2011)


Article DOI: 10.1016/j.bmc.2011.06.063
BindingDB Entry DOI: 10.7270/Q26T0NW8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176057
PNG
(9-Methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine ...)
Show SMILES Cn1c(nc2c(N)ncnc12)-n1nccn1
Show InChI InChI=1S/C8H8N8/c1-15-7-5(6(9)10-4-11-7)14-8(15)16-12-2-3-13-16/h2-4H,1H3,(H2,9,10,11)
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0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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0.840n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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1.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.98n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176050
PNG
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
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2.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015025
PNG
(CHEMBL3262408)
Show SMILES CN(CCCN1CCN(CC1)c1cccc2ccccc12)c1cccc(O)c1
Show InChI InChI=1S/C24H29N3O/c1-25(21-9-5-10-22(28)19-21)13-6-14-26-15-17-27(18-16-26)24-12-4-8-20-7-2-3-11-23(20)24/h2-5,7-12,19,28H,6,13-18H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015219
PNG
(CHEMBL3262410)
Show SMILES Oc1cccc(CCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C20H26N2O/c23-20-11-6-8-18(17-20)7-4-5-12-21-13-15-22(16-14-21)19-9-2-1-3-10-19/h1-3,6,8-11,17,23H,4-5,7,12-16H2
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3.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176055
PNG
(9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6...)
Show SMILES CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C13H18N8/c1-3-4-5-6-9-17-11(14)10-12(18-9)20(2)13(19-10)21-15-7-8-16-21/h7-8H,3-6H2,1-2H3,(H2,14,17,18)
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3.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50419034
PNG
(CHEMBL1813321)
Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1
Show InChI InChI=1S/C28H42N4O4/c1-23(33)29-15-17-31(3)25-11-9-13-27(21-25)35-19-7-5-6-8-20-36-28-14-10-12-26(22-28)32(4)18-16-30-24(2)34/h9-14,21-22H,5-8,15-20H2,1-4H3,(H,29,33)(H,30,34)
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3.39n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane


Bioorg Med Chem 19: 4910-6 (2011)


Article DOI: 10.1016/j.bmc.2011.06.063
BindingDB Entry DOI: 10.7270/Q26T0NW8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM82038
PNG
(Alloxazine | CAS_490-59-5 | CHEMBL68500 | NSC_9925...)
Show SMILES O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1
Show InChI InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A2b receptor expressed in HEK293 cells using 5 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50419039
PNG
(CHEMBL1813323)
Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1
Show InChI InChI=1S/C32H50N4O4/c1-27(37)33-19-21-35(3)29-15-13-17-31(25-29)39-23-11-9-7-5-6-8-10-12-24-40-32-18-14-16-30(26-32)36(4)22-20-34-28(2)38/h13-18,25-26H,5-12,19-24H2,1-4H3,(H,33,37)(H,34,38)
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3.98n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane


Bioorg Med Chem 19: 4910-6 (2011)


Article DOI: 10.1016/j.bmc.2011.06.063
BindingDB Entry DOI: 10.7270/Q26T0NW8
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176059
PNG
(9-Methyl-2-phenethyl-8-[1,2,3]triazol-2-yl-9H-puri...)
Show SMILES Cn1c(nc2c(N)nc(CCc3ccccc3)nc12)-n1nccn1
Show InChI InChI=1S/C16H16N8/c1-23-15-13(22-16(23)24-18-9-10-19-24)14(17)20-12(21-15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,17,20,21)
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4.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50212044
PNG
(CHEMBL390944 | pentyl 3-(2-acetamidoethyl)-5-metho...)
Show SMILES CCCCCOC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(C)=O
Show InChI InChI=1S/C19H26N2O4/c1-4-5-6-11-25-19(23)18-15(9-10-20-13(2)22)16-12-14(24-3)7-8-17(16)21-18/h7-8,12,21H,4-6,9-11H2,1-3H3,(H,20,22)
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4.80n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176058
PNG
(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
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6.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015221
PNG
(CHEMBL3262395)
Show SMILES CCc1[nH]c2ccc(O)cc2c1CCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O/c1-2-24-22(23-18-20(30)10-11-25(23)27-24)12-13-28-14-16-29(17-15-28)26-9-5-7-19-6-3-4-8-21(19)26/h3-11,18,27,30H,2,12-17H2,1H3
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6.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50212052
PNG
(9-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C37H48N4O8/c1-24(42)38-18-16-28-30-22-26(46-3)12-14-32(30)40-34(28)36(44)48-20-10-8-6-5-7-9-11-21-49-37(45)35-29(17-19-39-25(2)43)31-23-27(47-4)13-15-33(31)41-35/h12-15,22-23,40-41H,5-11,16-21H2,1-4H3,(H,38,42)(H,39,43)
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7.75n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50212045
PNG
(8-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C36H46N4O8/c1-23(41)37-17-15-27-29-21-25(45-3)11-13-31(29)39-33(27)35(43)47-19-9-7-5-6-8-10-20-48-36(44)34-28(16-18-38-24(2)42)30-22-26(46-4)12-14-32(30)40-34/h11-14,21-22,39-40H,5-10,15-20H2,1-4H3,(H,37,41)(H,38,42)
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7.91n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50212045
PNG
(8-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C36H46N4O8/c1-23(41)37-17-15-27-29-21-25(45-3)11-13-31(29)39-33(27)35(43)47-19-9-7-5-6-8-10-20-48-36(44)34-28(16-18-38-24(2)42)30-22-26(46-4)12-14-32(30)40-34/h11-14,21-22,39-40H,5-10,15-20H2,1-4H3,(H,37,41)(H,38,42)
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7.92n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50011300
PNG
(CHEMBL2398482 | US9133197, 2)
Show SMILES CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)
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8n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM181012
PNG
(US9133197, 4)
Show SMILES C[C@@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m1/s1
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8n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015197
PNG
(CHEMBL3262432)
Show SMILES Cl.CN(C(=O)CCCCCN1CCN(CC1)c1cccc2ccccc12)c1cccc(O)c1
Show InChI InChI=1S/C27H33N3O2.ClH/c1-28(23-11-8-12-24(31)21-23)27(32)15-3-2-6-16-29-17-19-30(20-18-29)26-14-7-10-22-9-4-5-13-25(22)26;/h4-5,7-14,21,31H,2-3,6,15-20H2,1H3;1H
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8.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015197
PNG
(CHEMBL3262432)
Show SMILES Cl.CN(C(=O)CCCCCN1CCN(CC1)c1cccc2ccccc12)c1cccc(O)c1
Show InChI InChI=1S/C27H33N3O2.ClH/c1-28(23-11-8-12-24(31)21-23)27(32)15-3-2-6-16-29-17-19-30(20-18-29)26-14-7-10-22-9-4-5-13-25(22)26;/h4-5,7-14,21,31H,2-3,6,15-20H2,1H3;1H
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8.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-HT7 receptor expressed in CHO cells after 30 mins by radioligand displacement assay


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50212053
PNG
(3-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C31H36N4O8/c1-18(36)32-12-10-22-24-16-20(40-3)6-8-26(24)34-28(22)30(38)42-14-5-15-43-31(39)29-23(11-13-33-19(2)37)25-17-21(41-4)7-9-27(25)35-29/h6-9,16-17,34-35H,5,10-15H2,1-4H3,(H,32,36)(H,33,37)
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9.5n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015024
PNG
(CHEMBL3262411)
Show SMILES Oc1cccc(NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C19H25N3O/c23-19-9-4-6-17(16-19)20-10-5-11-21-12-14-22(15-13-21)18-7-2-1-3-8-18/h1-4,6-9,16,20,23H,5,10-15H2
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176063
PNG
(2,9-Dimethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylam...)
Show SMILES Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C9H10N8/c1-5-13-7(10)6-8(14-5)16(2)9(15-6)17-11-3-4-12-17/h3-4H,1-2H3,(H2,10,13,14)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015200
PNG
(CHEMBL3262430)
Show SMILES CN(CCCCCCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C23H33N3O/c1-24(22-12-9-13-23(27)20-22)14-7-2-3-8-15-25-16-18-26(19-17-25)21-10-5-4-6-11-21/h4-6,9-13,20,27H,2-3,7-8,14-19H2,1H3
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015220
PNG
(CHEMBL3262393)
Show SMILES Oc1ccc2[nH]cc(CCN3CCN(CC3)c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C24H25N3O/c28-20-8-9-23-22(16-20)19(17-25-23)10-11-26-12-14-27(15-13-26)24-7-3-5-18-4-1-2-6-21(18)24/h1-9,16-17,25,28H,10-15H2
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015015
PNG
(CHEMBL3262425)
Show SMILES Oc1cccc(c1)N(CCCN1CCN(CC1)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H29N3O3S/c29-24-12-7-11-23(21-24)28(32(30,31)25-13-5-2-6-14-25)16-8-15-26-17-19-27(20-18-26)22-9-3-1-4-10-22/h1-7,9-14,21,29H,8,15-20H2
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50011301
PNG
(CHEMBL2398486 | US9133197, 7)
Show SMILES CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17)
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12n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015220
PNG
(CHEMBL3262393)
Show SMILES Oc1ccc2[nH]cc(CCN3CCN(CC3)c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C24H25N3O/c28-20-8-9-23-22(16-20)19(17-25-23)10-11-26-12-14-27(15-13-26)24-7-3-5-18-4-1-2-6-21(18)24/h1-9,16-17,25,28H,10-15H2
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-HT7 receptor expressed in CHO cells after 30 mins by radioligand displacement assay


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015222
PNG
(CHEMBL3262394)
Show SMILES Cc1[nH]c2ccc(O)cc2c1CCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C25H27N3O/c1-18-21(23-17-20(29)9-10-24(23)26-18)11-12-27-13-15-28(16-14-27)25-8-4-6-19-5-2-3-7-22(19)25/h2-10,17,26,29H,11-16H2,1H3
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015033
PNG
(CHEMBL3262421)
Show SMILES O=Cc1cccc(NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C20H25N3O/c24-17-18-6-4-7-19(16-18)21-10-5-11-22-12-14-23(15-13-22)20-8-2-1-3-9-20/h1-4,6-9,16-17,21H,5,10-15H2
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50212053
PNG
(3-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C31H36N4O8/c1-18(36)32-12-10-22-24-16-20(40-3)6-8-26(24)34-28(22)30(38)42-14-5-15-43-31(39)29-23(11-13-33-19(2)37)25-17-21(41-4)7-9-27(25)35-29/h6-9,16-17,34-35H,5,10-15H2,1-4H3,(H,32,36)(H,33,37)
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14.3n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50419040
PNG
(CHEMBL1813324)
Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2ccccc2)c1
Show InChI InChI=1S/C23H32N2O3/c1-20(26)24-15-16-25(2)21-11-10-14-23(19-21)28-18-9-4-3-8-17-27-22-12-6-5-7-13-22/h5-7,10-14,19H,3-4,8-9,15-18H2,1-2H3,(H,24,26)
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14.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane


Bioorg Med Chem 19: 4910-6 (2011)


Article DOI: 10.1016/j.bmc.2011.06.063
BindingDB Entry DOI: 10.7270/Q26T0NW8
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50212050
PNG
(10-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-car...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C38H50N4O8/c1-25(43)39-19-17-29-31-23-27(47-3)13-15-33(31)41-35(29)37(45)49-21-11-9-7-5-6-8-10-12-22-50-38(46)36-30(18-20-40-26(2)44)32-24-28(48-4)14-16-34(32)42-36/h13-16,23-24,41-42H,5-12,17-22H2,1-4H3,(H,39,43)(H,40,44)
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15.4n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015199
PNG
(CHEMBL3262429)
Show SMILES CN(CCCCCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C22H31N3O/c1-23(21-11-8-12-22(26)19-21)13-6-3-7-14-24-15-17-25(18-16-24)20-9-4-2-5-10-20/h2,4-5,8-12,19,26H,3,6-7,13-18H2,1H3
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176051
PNG
(9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6...)
Show SMILES CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C11H14N8/c1-3-4-7-15-9(12)8-10(16-7)18(2)11(17-8)19-13-5-6-14-19/h5-6H,3-4H2,1-2H3,(H2,12,15,16)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A2b receptor expressed in HEK293 cells using 5 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50047166
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3,7-trime...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
Show InChI InChI=1S/C18H20N4O4/c1-20-14(9-7-11-6-8-12(25-4)13(10-11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b9-7+
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM181011
PNG
(US9133197, 3)
Show SMILES C[C@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m0/s1
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19n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM181014
PNG
(US9133197, 6)
Show SMILES CCCC(=O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H14N8O/c1-3-4-7(21)10-17-9(13)8-11(18-10)19(2)12(16-8)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,17,18)
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19n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50419035
PNG
(CHEMBL1813322)
Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1
Show InChI InChI=1S/C30H46N4O4/c1-25(35)31-17-19-33(3)27-13-11-15-29(23-27)37-21-9-7-5-6-8-10-22-38-30-16-12-14-28(24-30)34(4)20-18-32-26(2)36/h11-16,23-24H,5-10,17-22H2,1-4H3,(H,31,35)(H,32,36)
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19.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane


Bioorg Med Chem 19: 4910-6 (2011)


Article DOI: 10.1016/j.bmc.2011.06.063
BindingDB Entry DOI: 10.7270/Q26T0NW8
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50212047
PNG
(9-(benzoyloxy)nonyl 3-(2-acetamidoethyl)-5-methoxy...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C30H38N2O6/c1-22(33)31-18-17-25-26-21-24(36-2)15-16-27(26)32-28(25)30(35)38-20-12-7-5-3-4-6-11-19-37-29(34)23-13-9-8-10-14-23/h8-10,13-16,21,32H,3-7,11-12,17-20H2,1-2H3,(H,31,33)
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20n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50015027
PNG
(CHEMBL3262407)
Show SMILES CN(CCCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C20H27N3O/c1-21(19-9-5-10-20(24)17-19)11-6-12-22-13-15-23(16-14-22)18-7-3-2-4-8-18/h2-5,7-10,17,24H,6,11-16H2,1H3
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-HT7 receptor expressed in CHO cells after 30 mins by radioligand displacement assay


Eur J Med Chem 80: 8-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6
More data for this
Ligand-Target Pair
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