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PubMed code 26334942

Compile data set for download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
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 1A


(Homo sapiens (Human))		BDBM50117886
PNG
(CHEMBL3612603)
Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1C
Show InChI InChI=1S/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117899
PNG
(CHEMBL3612604)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1C
Show InChI InChI=1S/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117907
PNG
(CHEMBL3612608)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1c1ccccc1
Show InChI InChI=1S/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117879
PNG
(CHEMBL3612461)
Show SMILES CCNC(=O)NCC1CCc2c(OC)cccc2N1C
Show InChI InChI=1S/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117880
PNG
(CHEMBL3612462)
Show SMILES CCNC(=O)NCC1CCc2ccccc2N1C
Show InChI InChI=1S/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117902
PNG
(CHEMBL3612606)
Show SMILES CCCN1C(CNC(C)=O)CCc2ccccc12
Show InChI InChI=1S/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117876
PNG
(CHEMBL3612456)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1
Show InChI InChI=1S/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117882
PNG
(CHEMBL3612464)
Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1
Show InChI InChI=1S/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117908
PNG
(CHEMBL3612609)
Show SMILES CCNC(=S)NCC1CCc2ccccc2N1C
Show InChI InChI=1S/C14H21N3S/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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 22n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117883
PNG
(CHEMBL3612467)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-2-20(23)21-14-18-13-12-17-10-6-7-11-19(17)22(18)15-16-8-4-3-5-9-16/h3-11,18H,2,12-15H2,1H3,(H,21,23)
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 37n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117884
PNG
(CHEMBL3612468)
Show SMILES CC(=O)NCC1CCc2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22)
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 45n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117885
PNG
(CHEMBL3612469)
Show SMILES CC(=O)NC[C@H]1CCc2ccccc2N1Cc1ccccc1 |r|
Show InChI InChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22)/t18-/m1/s1
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 45n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117875
PNG
(CHEMBL3612455)
Show SMILES CCC(=O)NCC1CCc2c(N1)cccc2OC
Show InChI InChI=1S/C14H20N2O2/c1-3-14(17)15-9-10-7-8-11-12(16-10)5-4-6-13(11)18-2/h4-6,10,16H,3,7-9H2,1-2H3,(H,15,17)
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 57n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117877
PNG
(CHEMBL3612458)
Show SMILES CCNC(=O)NCC1CCc2ccccc2N1
Show InChI InChI=1S/C13H19N3O/c1-2-14-13(17)15-9-11-8-7-10-5-3-4-6-12(10)16-11/h3-6,11,16H,2,7-9H2,1H3,(H2,14,15,17)
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 115n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117919
PNG
(CHEMBL3612470)
Show SMILES CC(=O)NC[C@@H]1CCc2ccccc2N1Cc1ccccc1 |r|
Show InChI InChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22)/t18-/m0/s1
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 122n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117881
PNG
(CHEMBL3612463)
Show SMILES CCNC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1
Show InChI InChI=1S/C21H27N3O2/c1-3-22-21(25)23-14-17-12-13-18-19(10-7-11-20(18)26-2)24(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H2,22,23,25)
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 132n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117926
PNG
(CHEMBL3612605)
Show SMILES CC(=O)NCC1CCc2ccccc2N1CCc1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-16(23)21-15-19-12-11-18-9-5-6-10-20(18)22(19)14-13-17-7-3-2-4-8-17/h2-10,19H,11-15H2,1H3,(H,21,23)
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 171n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117917
PNG
(CHEMBL3612465)
Show SMILES CCC(=O)NCC1CCc2cc(OC)ccc2N1Cc1ccccc1
Show InChI InChI=1S/C21H26N2O2/c1-3-21(24)22-14-18-10-9-17-13-19(25-2)11-12-20(17)23(18)15-16-7-5-4-6-8-16/h4-8,11-13,18H,3,9-10,14-15H2,1-2H3,(H,22,24)
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 186n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117918
PNG
(CHEMBL3612466)
Show SMILES CCC(=O)NCC1CCc2ccc(OC)cc2N1Cc1ccccc1
Show InChI InChI=1S/C21H26N2O2/c1-3-21(24)22-14-18-11-9-17-10-12-19(25-2)13-20(17)23(18)15-16-7-5-4-6-8-16/h4-8,10,12-13,18H,3,9,11,14-15H2,1-2H3,(H,22,24)
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 214n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117920
PNG
(CHEMBL3612471)
Show SMILES O=C(NCC1CCc2ccccc2N1Cc1ccccc1)C1CC1
Show InChI InChI=1S/C21H24N2O/c24-21(18-10-11-18)22-14-19-13-12-17-8-4-5-9-20(17)23(19)15-16-6-2-1-3-7-16/h1-9,18-19H,10-15H2,(H,22,24)
PDB

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 291n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117878
PNG
(CHEMBL3612460)
Show SMILES CCNC(=S)NCC1CCc2ccccc2N1
Show InChI InChI=1S/C13H19N3S/c1-2-14-13(17)15-9-11-8-7-10-5-3-4-6-12(10)16-11/h3-6,11,16H,2,7-9H2,1H3,(H2,14,15,17)
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 305n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117929
PNG
(CHEMBL3612610)
Show SMILES CCC(=O)NCCC1CCc2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-2-21(24)22-15-14-19-13-12-18-10-6-7-11-20(18)23(19)16-17-8-4-3-5-9-17/h3-11,19H,2,12-16H2,1H3,(H,22,24)
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 326n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117915
PNG
(CHEMBL3612457)
Show SMILES CCNC(=O)NCC1CCc2c(N1)cccc2OC
Show InChI InChI=1S/C14H21N3O2/c1-3-15-14(18)16-9-10-7-8-11-12(17-10)5-4-6-13(11)19-2/h4-6,10,17H,3,7-9H2,1-2H3,(H2,15,16,18)
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 480n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117923
PNG
(CHEMBL3612602)
Show SMILES O=C(NCC1CCc2ccccc2N1Cc1ccccc1)C1CCC1
Show InChI InChI=1S/C22H26N2O/c25-22(19-10-6-11-19)23-15-20-14-13-18-9-4-5-12-21(18)24(20)16-17-7-2-1-3-8-17/h1-5,7-9,12,19-20H,6,10-11,13-16H2,(H,23,25)
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 633n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117916
PNG
(CHEMBL3612459)
Show SMILES CCNC(=S)NCC1CCc2c(N1)cccc2OC
Show InChI InChI=1S/C14H21N3OS/c1-3-15-14(19)16-9-10-7-8-11-12(17-10)5-4-6-13(11)18-2/h4-6,10,17H,3,7-9H2,1-2H3,(H2,15,16,19)
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>1.00E+3n/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)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117927
PNG
(CHEMBL3612607)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1CC(=O)NC
Show InChI InChI=1S/C16H23N3O2/c1-3-15(20)18-10-13-9-8-12-6-4-5-7-14(12)19(13)11-16(21)17-2/h4-7,13H,3,8-11H2,1-2H3,(H,17,21)(H,18,20)
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>1.00E+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 MT1 receptor transfected in CHO cell membranes after 120 mins

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117912
PNG
(CHEMBL3612611)
Show SMILES CCC(=O)NCc1ccc2c(OC)cccc2n1
Show InChI InChI=1S/C14H16N2O2/c1-3-14(17)15-9-10-7-8-11-12(16-10)5-4-6-13(11)18-2/h4-8H,3,9H2,1-2H3,(H,15,17)
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>1.00E+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 MT1 receptor transfected in CHO cell membranes after 120 mins

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117885
PNG
(CHEMBL3612469)
Show SMILES CC(=O)NC[C@H]1CCc2ccccc2N1Cc1ccccc1 |r|
Show InChI InChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22)/t18-/m1/s1
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n/an/an/an/a 192n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117902
PNG
(CHEMBL3612606)
Show SMILES CCCN1C(CNC(C)=O)CCc2ccccc12
Show InChI InChI=1S/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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n/an/an/an/a 2n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117880
PNG
(CHEMBL3612462)
Show SMILES CCNC(=O)NCC1CCc2ccccc2N1C
Show InChI InChI=1S/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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n/an/an/an/a 110n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117879
PNG
(CHEMBL3612461)
Show SMILES CCNC(=O)NCC1CCc2c(OC)cccc2N1C
Show InChI InChI=1S/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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n/an/an/an/a 160n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117882
PNG
(CHEMBL3612464)
Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1
Show InChI InChI=1S/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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n/an/an/an/a 177n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117899
PNG
(CHEMBL3612604)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1C
Show InChI InChI=1S/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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n/an/an/an/a 0.900n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117908
PNG
(CHEMBL3612609)
Show SMILES CCNC(=S)NCC1CCc2ccccc2N1C
Show InChI InChI=1S/C14H21N3S/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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n/an/an/an/a 809n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117907
PNG
(CHEMBL3612608)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1c1ccccc1
Show InChI InChI=1S/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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n/an/an/an/a 6.20n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117886
PNG
(CHEMBL3612603)
Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1C
Show InChI InChI=1S/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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n/an/an/an/a 1.70n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117883
PNG
(CHEMBL3612467)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-2-20(23)21-14-18-13-12-17-10-6-7-11-19(17)22(18)15-16-8-4-3-5-9-16/h3-11,18H,2,12-15H2,1H3,(H,21,23)
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n/an/an/an/a 36n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117876
PNG
(CHEMBL3612456)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1
Show InChI InChI=1S/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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n/an/an/an/a 242n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117878
PNG
(CHEMBL3612460)
Show SMILES CCNC(=S)NCC1CCc2ccccc2N1
Show InChI InChI=1S/C13H19N3S/c1-2-14-13(17)15-9-11-8-7-10-5-3-4-6-12(10)16-11/h3-6,11,16H,2,7-9H2,1H3,(H2,14,15,17)
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n/an/an/an/a 2.66E+3n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117877
PNG
(CHEMBL3612458)
Show SMILES CCNC(=O)NCC1CCc2ccccc2N1
Show InChI InChI=1S/C13H19N3O/c1-2-14-13(17)15-9-11-8-7-10-5-3-4-6-12(10)16-11/h3-6,11,16H,2,7-9H2,1H3,(H2,14,15,17)
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n/an/an/an/a 2.42E+3n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117875
PNG
(CHEMBL3612455)
Show SMILES CCC(=O)NCC1CCc2c(N1)cccc2OC
Show InChI InChI=1S/C14H20N2O2/c1-3-14(17)15-9-10-7-8-11-12(16-10)5-4-6-13(11)18-2/h4-6,10,16H,3,7-9H2,1-2H3,(H,15,17)
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n/an/an/an/a 906n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117884
PNG
(CHEMBL3612468)
Show SMILES CC(=O)NCC1CCc2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22)
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n/an/an/an/a 31n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50117881
PNG
(CHEMBL3612463)
Show SMILES CCNC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1
Show InChI InChI=1S/C21H27N3O2/c1-3-22-21(25)23-14-17-12-13-18-19(10-7-11-20(18)26-2)24(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H2,22,23,25)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 393n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%