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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'bedini' and Initial = 'a'   
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
Melatonin receptor


(Homo sapiens (Human))
BDBM50117886
PNG
(CHEMBL3612603)
Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1C
Show InChI InChI=1/C15H22N2O2/c1-4-15(18)16-10-11-8-9-12-13(17(11)2)6-5-7-14(12)19-3/h5-7,11H,4,8-10H2,1-3H3,(H,16,18)
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0.0300n/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 MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


BindingDB Entry DOI: 10.7270/Q20R9R6D
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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0.200n/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
Melatonin receptor


(Homo sapiens (Human))
BDBM50117899
PNG
(CHEMBL3612604)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1C
Show InChI InChI=1/C14H20N2O/c1-3-14(17)15-10-12-9-8-11-6-4-5-7-13(11)16(12)2/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)
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0.700n/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 MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


BindingDB Entry DOI: 10.7270/Q20R9R6D
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/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50117907
PNG
(CHEMBL3612608)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1c1ccccc1
Show InChI InChI=1/C19H22N2O/c1-2-19(22)20-14-17-13-12-15-8-6-7-11-18(15)21(17)16-9-4-3-5-10-16/h3-11,17H,2,12-14H2,1H3,(H,20,22)
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1.60n/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 MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
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
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
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
Melatonin receptor


(Homo sapiens (Human))
BDBM50117879
PNG
(CHEMBL3612461)
Show SMILES CCNC(=O)NCC1CCc2c(OC)cccc2N1C
Show InChI InChI=1/C15H23N3O2/c1-4-16-15(19)17-10-11-8-9-12-13(18(11)2)6-5-7-14(12)20-3/h5-7,11H,4,8-10H2,1-3H3,(H2,16,17,19)
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5n/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 MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50117880
PNG
(CHEMBL3612462)
Show SMILES CCNC(=O)NCC1CCc2ccccc2N1C
Show InChI InChI=1/C14H21N3O/c1-3-15-14(18)16-10-12-9-8-11-6-4-5-7-13(11)17(12)2/h4-7,12H,3,8-10H2,1-2H3,(H2,15,16,18)
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5.30n/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 MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398700
PNG
(CHEMBL2178733)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50117902
PNG
(CHEMBL3612606)
Show SMILES CCCN1C(CNC(C)=O)CCc2ccccc12
Show InChI InChI=1/C15H22N2O/c1-3-10-17-14(11-16-12(2)18)9-8-13-6-4-5-7-15(13)17/h4-7,14H,3,8-11H2,1-2H3,(H,16,18)
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5.80n/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 MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398702
PNG
(CHEMBL2178731)
Show SMILES NC(=O)[C@H]1CC(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 |r|
Show InChI InChI=1S/C27H30N6O5/c28-25(36)20-14-24(35)29-11-10-23(34)31-22(13-17-15-30-19-9-5-4-8-18(17)19)27(38)33-21(26(37)32-20)12-16-6-2-1-3-7-16/h1-9,15,20-22,30H,10-14H2,(H2,28,36)(H,29,35)(H,31,34)(H,32,37)(H,33,38)/t20-,21+,22-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
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
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
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))
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))
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))
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398709
PNG
(CHEMBL2178724)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50117876
PNG
(CHEMBL3612456)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1
Show InChI InChI=1/C13H18N2O/c1-2-13(16)14-9-11-8-7-10-5-3-4-6-12(10)15-11/h3-6,11,15H,2,7-9H2,1H3,(H,14,16)
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13n/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 MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


BindingDB Entry DOI: 10.7270/Q20R9R6D
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
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
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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398701
PNG
(CHEMBL2178732)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50117882
PNG
(CHEMBL3612464)
Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1
Show InChI InChI=1/C21H26N2O2/c1-3-21(24)22-14-17-12-13-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,22,24)
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17n/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 MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


BindingDB Entry DOI: 10.7270/Q20R9R6D
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
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
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
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
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))
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
Melatonin receptor


(Homo sapiens (Human))
BDBM50212046
PNG
(5-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C33H40N4O8/c1-20(38)34-14-12-24-26-18-22(42-3)8-10-28(26)36-30(24)32(40)44-16-6-5-7-17-45-33(41)31-25(13-15-35-21(2)39)27-19-23(43-4)9-11-29(27)37-31/h8-11,18-19,36-37H,5-7,12-17H2,1-4H3,(H,34,38)(H,35,39)
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20.1n/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))
BDBM50419032
PNG
(CHEMBL1813174)
Show SMILES CN(CCNC(C)=O)c1cccc(OCCCOc2cccc(c2)N(C)CCNC(C)=O)c1
Show InChI InChI=1S/C25H36N4O4/c1-20(30)26-12-14-28(3)22-8-5-10-24(18-22)32-16-7-17-33-25-11-6-9-23(19-25)29(4)15-13-27-21(2)31/h5-6,8-11,18-19H,7,12-17H2,1-4H3,(H,26,30)(H,27,31)
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20.4n/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
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