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Compile Data Set for Download or QSAR

Found 400 hits with Last Name = 'plazzi' and Initial = 'pv'   
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 type 1B


(Homo sapiens (Human))
BDBM50240440
PNG
(4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
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0.0158n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expressed in NIH3T3 rat fibroblast cells


J Med Chem 48: 4049-60 (2005)


Article DOI: 10.1021/jm048956y
BindingDB Entry DOI: 10.7270/Q2319ZND
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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0.0170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50043287
PNG
(CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...)
Show SMILES COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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0.0360n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50240952
PNG
((4-Methoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-...)
Show SMILES CCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc12
Show InChI InChI=1S/C20H23NO2/c1-3-20(22)21-13-17-11-15-7-5-4-6-14(15)10-16-8-9-18(23-2)12-19(16)17/h4-9,12,17H,3,10-11,13H2,1-2H3,(H,21,22)
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0.162n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells


J Med Chem 47: 4202-12 (2004)


Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(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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0.166n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Binding Affinity (pKi) towards human Melatonin receptor type 1A


J Med Chem 46: 1429-39 (2003)


Article DOI: 10.1021/jm020982d
BindingDB Entry DOI: 10.7270/Q2DN47T2
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471833
PNG
(CHEMBL127337)
Show SMILES COc1cc2c(CCNC(C)=O)c(Br)[nH]c2cc1Br
Show InChI InChI=1S/C13H14Br2N2O2/c1-7(18)16-4-3-8-9-5-12(19-2)10(14)6-11(9)17-13(8)15/h5-6,17H,3-4H2,1-2H3,(H,16,18)
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0.176n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for Melatonin receptor using 2-[125I]iodomelatonin as radioligand


J Med Chem 41: 3831-44 (1998)


Article DOI: 10.1021/jm9810093
BindingDB Entry DOI: 10.7270/Q2ZC85M8
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50475069
PNG
(CHEMBL189395)
Show SMILES CCCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc12
Show InChI InChI=1S/C21H25NO2/c1-3-6-21(23)22-14-18-12-16-8-5-4-7-15(16)11-17-9-10-19(24-2)13-20(17)18/h4-5,7-10,13,18H,3,6,11-12,14H2,1-2H3,(H,22,23)
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0.245n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells


J Med Chem 47: 4202-12 (2004)


Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(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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0.282n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin


J Med Chem 44: 2900-12 (2001)


Article DOI: 10.1021/jm001125h
BindingDB Entry DOI: 10.7270/Q2QC067J
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(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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0.282n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor type 1B (MT2) expressed in NIH3T3 rat fibroblast cells


J Med Chem 48: 4049-60 (2005)


Article DOI: 10.1021/jm048956y
BindingDB Entry DOI: 10.7270/Q2319ZND
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(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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0.282n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells


J Med Chem 47: 4202-12 (2004)


Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(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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0.288n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant Melatonin receptor type 1 expressed in NIH3T3 cells


J Med Chem 47: 4202-12 (2004)


Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(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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0.288n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...


J Med Chem 44: 2900-12 (2001)


Article DOI: 10.1021/jm001125h
BindingDB Entry DOI: 10.7270/Q2QC067J
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(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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0.288n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor type 1A (MT1) expressed in NIH3T3 rat fibroblast cells


J Med Chem 48: 4049-60 (2005)


Article DOI: 10.1021/jm048956y
BindingDB Entry DOI: 10.7270/Q2319ZND
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(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 type 1B


(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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0.295n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Binding Affinity (pKi) towards human Melatonin receptor type 1B


J Med Chem 46: 1429-39 (2003)


Article DOI: 10.1021/jm020982d
BindingDB Entry DOI: 10.7270/Q2DN47T2
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50114704
PNG
(CHEMBL33549 | N-(2-(5-methoxy-2-(3-methoxybenzyl)b...)
Show SMILES COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)c1
Show InChI InChI=1S/C21H23NO4/c1-14(23)22-10-9-18-19-13-17(25-3)7-8-20(19)26-21(18)12-15-5-4-6-16(11-15)24-2/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,23)
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0.324n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expressed in NIH3T3 rat fibroblast cells


J Med Chem 48: 4049-60 (2005)


Article DOI: 10.1021/jm048956y
BindingDB Entry DOI: 10.7270/Q2319ZND
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412447
PNG
(CHEMBL380101)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H32N2/c1-3-15-25(16-4-1)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-17-5-2-6-18-26/h7-14H,1-6,15-20H2
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0.339n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor transfected in SK-N-MC cells


Bioorg Med Chem Lett 16: 4063-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.092
BindingDB Entry DOI: 10.7270/Q2FX7D7Q
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471112
PNG
(CHEMBL61991)
Show SMILES COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H18N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)/b11-10+
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0.390n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471119
PNG
(CHEMBL61380)
Show SMILES CCOC(=O)c1[nH]c2ccc(OC)c3CCC(CNC(C)=O)c1c23
Show InChI InChI=1S/C18H22N2O4/c1-4-24-18(22)17-15-11(9-19-10(2)21)5-6-12-14(23-3)8-7-13(20-17)16(12)15/h7-8,11,20H,4-6,9H2,1-3H3,(H,19,21)
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0.480n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50086001
PNG
(CHEMBL274438 | N-[2-(11-Methoxy-6,7-dihydro-5H-ben...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OC)cc12
Show InChI InChI=1S/C24H28N2O2/c1-3-7-23(27)25-14-13-20-21-16-18(28-2)11-12-22(21)26-15-6-9-17-8-4-5-10-19(17)24(20)26/h4-5,8,10-12,16H,3,6-7,9,13-15H2,1-2H3,(H,25,27)
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0.501n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expressed in NIH3T3 rat fibroblast cells


J Med Chem 48: 4049-60 (2005)


Article DOI: 10.1021/jm048956y
BindingDB Entry DOI: 10.7270/Q2319ZND
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(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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0.610n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(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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0.610n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for Melatonin receptor using 2-[125I]iodomelatonin as radioligand


J Med Chem 41: 3831-44 (1998)


Article DOI: 10.1021/jm9810093
BindingDB Entry DOI: 10.7270/Q2ZC85M8
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50011349
PNG
(CHEMBL189449)
Show SMILES COc1ccc2Cc3ccccc3CC(CNC(C)=O)c2c1
Show InChI InChI=1S/C19H21NO2/c1-13(21)20-12-17-10-15-6-4-3-5-14(15)9-16-7-8-18(22-2)11-19(16)17/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,21)
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0.661n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expressed in NIH3T3 rat fibroblast cells


J Med Chem 48: 4049-60 (2005)


Article DOI: 10.1021/jm048956y
BindingDB Entry DOI: 10.7270/Q2319ZND
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50011349
PNG
(CHEMBL189449)
Show SMILES COc1ccc2Cc3ccccc3CC(CNC(C)=O)c2c1
Show InChI InChI=1S/C19H21NO2/c1-13(21)20-12-17-10-15-6-4-3-5-14(15)9-16-7-8-18(22-2)11-19(16)17/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,21)
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0.661n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells


J Med Chem 47: 4202-12 (2004)


Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412461
PNG
(CHEMBL457004)
Show SMILES CC1CC(C)CN(Cc2ccc(cc2)-c2ccc(CN3CCCCC3)cc2)C1
Show InChI InChI=1S/C26H36N2/c1-21-16-22(2)18-28(17-21)20-24-8-12-26(13-9-24)25-10-6-23(7-11-25)19-27-14-4-3-5-15-27/h6-13,21-22H,3-5,14-20H2,1-2H3
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0.871n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50475065
PNG
(CHEMBL427516)
Show SMILES COc1ccc2c(c1)C(CNC(C)=O)Cc1ccccc1C2=O
Show InChI InChI=1S/C19H19NO3/c1-12(21)20-11-14-9-13-5-3-4-6-16(13)19(22)17-8-7-15(23-2)10-18(14)17/h3-8,10,14H,9,11H2,1-2H3,(H,20,21)
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0.891n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells


J Med Chem 47: 4202-12 (2004)


Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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0.990n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412467
PNG
(CHEMBL378178)
Show SMILES C(Cc1ccc(cc1)-c1ccc(CCN2CCCCC2)cc1)N1CCCCC1
Show InChI InChI=1S/C26H36N2/c1-3-17-27(18-4-1)21-15-23-7-11-25(12-8-23)26-13-9-24(10-14-26)16-22-28-19-5-2-6-20-28/h7-14H,1-6,15-22H2
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1.17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412467
PNG
(CHEMBL378178)
Show SMILES C(Cc1ccc(cc1)-c1ccc(CCN2CCCCC2)cc1)N1CCCCC1
Show InChI InChI=1S/C26H36N2/c1-3-17-27(18-4-1)21-15-23-7-11-25(12-8-23)26-13-9-24(10-14-26)16-22-28-19-5-2-6-20-28/h7-14H,1-6,15-22H2
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1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor transfected in SK-N-MC cells


Bioorg Med Chem Lett 16: 4063-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.092
BindingDB Entry DOI: 10.7270/Q2FX7D7Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412447
PNG
(CHEMBL380101)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H32N2/c1-3-15-25(16-4-1)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-17-5-2-6-18-26/h7-14H,1-6,15-20H2
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1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in rat brain membranes


Bioorg Med Chem Lett 16: 4063-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.092
BindingDB Entry DOI: 10.7270/Q2FX7D7Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412447
PNG
(CHEMBL380101)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H32N2/c1-3-15-25(16-4-1)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-17-5-2-6-18-26/h7-14H,1-6,15-20H2
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1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50475069
PNG
(CHEMBL189395)
Show SMILES CCCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc12
Show InChI InChI=1S/C21H25NO2/c1-3-6-21(23)22-14-18-12-16-8-5-4-7-15(16)11-17-9-10-19(24-2)13-20(17)18/h4-5,7-10,13,18H,3,6,11-12,14H2,1-2H3,(H,22,23)
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant Melatonin receptor type 1 expressed in NIH3T3 cells


J Med Chem 47: 4202-12 (2004)


Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50240952
PNG
((4-Methoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-...)
Show SMILES CCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc12
Show InChI InChI=1S/C20H23NO2/c1-3-20(22)21-13-17-11-15-7-5-4-6-14(15)10-16-8-9-18(23-2)12-19(16)17/h4-9,12,17H,3,10-11,13H2,1-2H3,(H,21,22)
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant Melatonin receptor type 1 expressed in NIH3T3 cells


J Med Chem 47: 4202-12 (2004)


Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412471
PNG
(CHEMBL457006)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H28N2/c1-22(2)16-18-6-10-20(11-7-18)21-12-8-19(9-13-21)17-23-14-4-3-5-15-23/h6-13H,3-5,14-17H2,1-2H3
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1.32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM85362
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5j)
Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2n1-c1ccccc1
Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-12-16-14-17-18(10-7-11-19(17)24-2)22(16)15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)
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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin


J Med Chem 44: 2900-12 (2001)


Article DOI: 10.1021/jm001125h
BindingDB Entry DOI: 10.7270/Q2QC067J
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50066960
PNG
(CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...)
Show SMILES COc1ccc2n(C)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-7-6-11-9-16(2)14-5-4-12(18-3)8-13(11)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)
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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Binding Affinity (pKi) towards human Melatonin receptor type 1B


J Med Chem 46: 1429-39 (2003)


Article DOI: 10.1021/jm020982d
BindingDB Entry DOI: 10.7270/Q2DN47T2
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412466
PNG
(CHEMBL211486)
Show SMILES C(NC1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H34N2/c1-3-7-25(8-4-1)26-19-21-9-13-23(14-10-21)24-15-11-22(12-16-24)20-27-17-5-2-6-18-27/h9-16,25-26H,1-8,17-20H2
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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412466
PNG
(CHEMBL211486)
Show SMILES C(NC1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H34N2/c1-3-7-25(8-4-1)26-19-21-9-13-23(14-10-21)24-15-11-22(12-16-24)20-27-17-5-2-6-18-27/h9-16,25-26H,1-8,17-20H2
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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor transfected in SK-N-MC cells


Bioorg Med Chem Lett 16: 4063-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.092
BindingDB Entry DOI: 10.7270/Q2FX7D7Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412463
PNG
(CHEMBL457862)
Show SMILES CCCN(CCC)Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H36N2/c1-3-16-26(17-4-2)20-22-8-12-24(13-9-22)25-14-10-23(11-15-25)21-27-18-6-5-7-19-27/h8-15H,3-7,16-21H2,1-2H3
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1.74n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50401007
PNG
(CHEMBL209478)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C18H24N2/c1-19(2)13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-20(3)4/h5-12H,13-14H2,1-4H3
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1.86n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50401007
PNG
(CHEMBL209478)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C18H24N2/c1-19(2)13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-20(3)4/h5-12H,13-14H2,1-4H3
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1.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor transfected in SK-N-MC cells


Bioorg Med Chem Lett 16: 4063-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.092
BindingDB Entry DOI: 10.7270/Q2FX7D7Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412472
PNG
(CHEMBL457007)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C23H32N2/c1-3-24(4-2)18-20-8-12-22(13-9-20)23-14-10-21(11-15-23)19-25-16-6-5-7-17-25/h8-15H,3-7,16-19H2,1-2H3
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1.95n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412469
PNG
(CHEMBL459756)
Show SMILES C(Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1)N1CCCCC1
Show InChI InChI=1S/C25H34N2/c1-3-16-26(17-4-1)20-15-22-7-11-24(12-8-22)25-13-9-23(10-14-25)21-27-18-5-2-6-19-27/h7-14H,1-6,15-21H2
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412471
PNG
(CHEMBL457006)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H28N2/c1-22(2)16-18-6-10-20(11-7-18)21-12-8-19(9-13-21)17-23-14-4-3-5-15-23/h6-13H,3-5,14-17H2,1-2H3
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2.19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50066960
PNG
(CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...)
Show SMILES COc1ccc2n(C)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-7-6-11-9-16(2)14-5-4-12(18-3)8-13(11)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)
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2.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Binding Affinity (pKi) towards human Melatonin receptor type 1A


J Med Chem 46: 1429-39 (2003)


Article DOI: 10.1021/jm020982d
BindingDB Entry DOI: 10.7270/Q2DN47T2
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412448
PNG
(CHEMBL500825)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1ccc(CN(CC)CC)cc1
Show InChI InChI=1S/C22H32N2/c1-5-23(6-2)17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-24(7-3)8-4/h9-16H,5-8,17-18H2,1-4H3
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412461
PNG
(CHEMBL457004)
Show SMILES CC1CC(C)CN(Cc2ccc(cc2)-c2ccc(CN3CCCCC3)cc2)C1
Show InChI InChI=1S/C26H36N2/c1-21-16-22(2)18-28(17-21)20-24-8-12-26(13-9-24)25-10-6-23(7-11-25)19-27-14-4-3-5-15-27/h6-13,21-22H,3-5,14-20H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412464
PNG
(CHEMBL458082)
Show SMILES CC1CCN(Cc2ccc(cc2)-c2ccc(CN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C25H34N2/c1-21-13-17-27(18-14-21)20-23-7-11-25(12-8-23)24-9-5-22(6-10-24)19-26-15-3-2-4-16-26/h5-12,21H,2-4,13-20H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412472
PNG
(CHEMBL457007)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C23H32N2/c1-3-24(4-2)18-20-8-12-22(13-9-20)23-14-10-21(11-15-23)19-25-16-6-5-7-17-25/h8-15H,3-7,16-19H2,1-2H3
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2.57n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471122
PNG
(CHEMBL60832)
Show SMILES COc1ccc2[nH]cc3C(CNC(C)=O)CCc1c23
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-7-10-3-4-11-14(19-2)6-5-13-15(11)12(10)8-17-13/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,16,18)
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2.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
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