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Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'rodríguez-franco' and Initial = 'mi'   
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))
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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0.0910n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
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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0.0910n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectr...


Eur J Med Chem 103: 370-3 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3GVH
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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0.150n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
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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0.150n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectr...


Eur J Med Chem 103: 370-3 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3GVH
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097043
PNG
(CHEMBL3580910)
Show SMILES COc1ccc2[nH]cc(CCC(=O)NCC=C)c2c1
Show InChI InChI=1S/C15H18N2O2/c1-3-8-16-15(18)7-4-11-10-17-14-6-5-12(19-2)9-13(11)14/h3,5-6,9-10,17H,1,4,7-8H2,2H3,(H,16,18)
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0.450n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096976
PNG
(CHEMBL3580908)
Show SMILES COc1ccc2[nH]cc(CCC(=O)NCC#C)c2c1
Show InChI InChI=1S/C15H16N2O2/c1-3-8-16-15(18)7-4-11-10-17-14-6-5-12(19-2)9-13(11)14/h1,5-6,9-10,17H,4,7-8H2,2H3,(H,16,18)
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1n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097043
PNG
(CHEMBL3580910)
Show SMILES COc1ccc2[nH]cc(CCC(=O)NCC=C)c2c1
Show InChI InChI=1S/C15H18N2O2/c1-3-8-16-15(18)7-4-11-10-17-14-6-5-12(19-2)9-13(11)14/h3,5-6,9-10,17H,1,4,7-8H2,2H3,(H,16,18)
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2.5n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50127639
PNG
(CHEMBL3628489)
Show SMILES COc1ccc2oc(=O)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H15NO4/c1-9(16)15-6-5-10-7-14(17)19-13-4-3-11(18-2)8-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
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3.40n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectr...


Eur J Med Chem 103: 370-3 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3GVH
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096973
PNG
(CHEMBL3580907)
Show SMILES COc1ccc2[nH]cc(CC(=O)NCC#C)c2c1
Show InChI InChI=1S/C14H14N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h1,4-5,8-9,16H,6-7H2,2H3,(H,15,17)
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3.80n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096968
PNG
(CHEMBL3580919)
Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1
Show InChI InChI=1S/C13H13N3O3/c1-18-9-3-4-11-10(6-9)8(7-14-11)2-5-12-15-16-13(17)19-12/h3-4,6-7,14H,2,5H2,1H3,(H,16,17)
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4n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096977
PNG
(CHEMBL3580909)
Show SMILES COc1ccc2[nH]cc(CC(=O)NCC=C)c2c1
Show InChI InChI=1S/C14H16N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h3-5,8-9,16H,1,6-7H2,2H3,(H,15,17)
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4.90n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096976
PNG
(CHEMBL3580908)
Show SMILES COc1ccc2[nH]cc(CCC(=O)NCC#C)c2c1
Show InChI InChI=1S/C15H16N2O2/c1-3-8-16-15(18)7-4-11-10-17-14-6-5-12(19-2)9-13(11)14/h1,5-6,9-10,17H,4,7-8H2,2H3,(H,16,18)
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5n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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11n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH DPAT from rat 5HT1A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50127639
PNG
(CHEMBL3628489)
Show SMILES COc1ccc2oc(=O)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H15NO4/c1-9(16)15-6-5-10-7-14(17)19-13-4-3-11(18-2)8-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
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13n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectr...


Eur J Med Chem 103: 370-3 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3GVH
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096973
PNG
(CHEMBL3580907)
Show SMILES COc1ccc2[nH]cc(CC(=O)NCC#C)c2c1
Show InChI InChI=1S/C14H14N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h1,4-5,8-9,16H,6-7H2,2H3,(H,15,17)
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14n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097066
PNG
(CHEMBL3580915)
Show SMILES COc1ccc2[nH]cc(Cc3nnc(C)o3)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-8-15-16-13(18-8)5-9-7-14-12-4-3-10(17-2)6-11(9)12/h3-4,6-7,14H,5H2,1-2H3
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16n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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16n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096977
PNG
(CHEMBL3580909)
Show SMILES COc1ccc2[nH]cc(CC(=O)NCC=C)c2c1
Show InChI InChI=1S/C14H16N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h3-5,8-9,16H,1,6-7H2,2H3,(H,15,17)
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17n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096971
PNG
(CHEMBL3580926)
Show SMILES CCNc1nnc(Cc2c[nH]c3ccc(OC)cc23)s1
Show InChI InChI=1S/C14H16N4OS/c1-3-15-14-18-17-13(20-14)6-9-8-16-12-5-4-10(19-2)7-11(9)12/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,18)
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17n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096968
PNG
(CHEMBL3580919)
Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1
Show InChI InChI=1S/C13H13N3O3/c1-18-9-3-4-11-10(6-9)8(7-14-11)2-5-12-15-16-13(17)19-12/h3-4,6-7,14H,2,5H2,1H3,(H,16,17)
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35n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097064
PNG
(CHEMBL3580913)
Show SMILES COc1ccc2[nH]cc(Cc3nc(C)no3)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-8-15-13(18-16-8)5-9-7-14-12-4-3-10(17-2)6-11(9)12/h3-4,6-7,14H,5H2,1-2H3
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44n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097067
PNG
(CHEMBL3580917)
Show SMILES COc1ccc2[nH]cc(CCc3nnco3)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-17-10-3-4-12-11(6-10)9(7-14-12)2-5-13-16-15-8-18-13/h3-4,6-8,14H,2,5H2,1H3
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68n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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92n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of [3H]DOB from rat 5HT2A receptor expressed in mouse NIH/3T3 cells after 30 mins by liquid scintillation counting analysis


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097068
PNG
(CHEMBL3580918)
Show SMILES COc1ccc2[nH]cc(Cc3n[nH]c(=O)o3)c2c1
Show InChI InChI=1S/C12H11N3O3/c1-17-8-2-3-10-9(5-8)7(6-13-10)4-11-14-15-12(16)18-11/h2-3,5-6,13H,4H2,1H3,(H,15,16)
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160n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097064
PNG
(CHEMBL3580913)
Show SMILES COc1ccc2[nH]cc(Cc3nc(C)no3)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-8-15-13(18-16-8)5-9-7-14-12-4-3-10(17-2)6-11(9)12/h3-4,6-7,14H,5H2,1-2H3
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170n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096967
PNG
(CHEMBL3580916)
Show SMILES COc1ccc2[nH]cc(CCc3nnc(C)o3)c2c1
Show InChI InChI=1S/C14H15N3O2/c1-9-16-17-14(19-9)6-3-10-8-15-13-5-4-11(18-2)7-12(10)13/h4-5,7-8,15H,3,6H2,1-2H3
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190n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097066
PNG
(CHEMBL3580915)
Show SMILES COc1ccc2[nH]cc(Cc3nnc(C)o3)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-8-15-16-13(18-8)5-9-7-14-12-4-3-10(17-2)6-11(9)12/h3-4,6-7,14H,5H2,1-2H3
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210n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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210n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096969
PNG
(CHEMBL3580924)
Show SMILES CCn1c(Cc2c[nH]c3ccc(OC)cc23)n[nH]c1=S
Show InChI InChI=1S/C14H16N4OS/c1-3-18-13(16-17-14(18)20)6-9-8-15-12-5-4-10(19-2)7-11(9)12/h4-5,7-8,15H,3,6H2,1-2H3,(H,17,20)
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220n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097048
PNG
(CHEMBL3580911)
Show SMILES COc1ccc2[nH]cc(Cc3ncc(C)o3)c2c1
Show InChI InChI=1S/C14H14N2O2/c1-9-7-16-14(18-9)5-10-8-15-13-4-3-11(17-2)6-12(10)13/h3-4,6-8,15H,5H2,1-2H3
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280n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097050
PNG
(CHEMBL3580912)
Show SMILES COc1ccc2[nH]cc(CCc3ncc(C)o3)c2c1
Show InChI InChI=1S/C15H16N2O2/c1-10-8-17-15(19-10)6-3-11-9-16-14-5-4-12(18-2)7-13(11)14/h4-5,7-9,16H,3,6H2,1-2H3
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498n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097116
PNG
(CHEMBL3580921)
Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=S)o3)c2c1
Show InChI InChI=1S/C13H13N3O2S/c1-17-9-3-4-11-10(6-9)8(7-14-11)2-5-12-15-16-13(19)18-12/h3-4,6-7,14H,2,5H2,1H3,(H,16,19)
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530n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097115
PNG
(CHEMBL3580920)
Show SMILES COc1ccc2[nH]cc(Cc3n[nH]c(=S)o3)c2c1
Show InChI InChI=1S/C12H11N3O2S/c1-16-8-2-3-10-9(5-8)7(6-13-10)4-11-14-15-12(18)17-11/h2-3,5-6,13H,4H2,1H3,(H,15,18)
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535n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097117
PNG
(CHEMBL3580922)
Show SMILES COc1ccc2[nH]cc(Cc3n[nH]c(=O)n3C)c2c1
Show InChI InChI=1S/C13H14N4O2/c1-17-12(15-16-13(17)18)5-8-7-14-11-4-3-9(19-2)6-10(8)11/h3-4,6-7,14H,5H2,1-2H3,(H,16,18)
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560n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097067
PNG
(CHEMBL3580917)
Show SMILES COc1ccc2[nH]cc(CCc3nnco3)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-17-10-3-4-12-11(6-10)9(7-14-12)2-5-13-16-15-8-18-13/h3-4,6-8,14H,2,5H2,1H3
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570n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096967
PNG
(CHEMBL3580916)
Show SMILES COc1ccc2[nH]cc(CCc3nnc(C)o3)c2c1
Show InChI InChI=1S/C14H15N3O2/c1-9-16-17-14(19-9)6-3-10-8-15-13-5-4-11(18-2)7-12(10)13/h4-5,7-8,15H,3,6H2,1-2H3
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709n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097115
PNG
(CHEMBL3580920)
Show SMILES COc1ccc2[nH]cc(Cc3n[nH]c(=S)o3)c2c1
Show InChI InChI=1S/C12H11N3O2S/c1-16-8-2-3-10-9(5-8)7(6-13-10)4-11-14-15-12(18)17-11/h2-3,5-6,13H,4H2,1H3,(H,15,18)
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>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097116
PNG
(CHEMBL3580921)
Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=S)o3)c2c1
Show InChI InChI=1S/C13H13N3O2S/c1-17-9-3-4-11-10(6-9)8(7-14-11)2-5-12-15-16-13(19)18-12/h3-4,6-7,14H,2,5H2,1H3,(H,16,19)
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>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097065
PNG
(CHEMBL3580914)
Show SMILES COc1ccc2[nH]cc(CCc3nc(C)no3)c2c1
Show InChI InChI=1S/C14H15N3O2/c1-9-16-14(19-17-9)6-3-10-8-15-13-5-4-11(18-2)7-12(10)13/h4-5,7-8,15H,3,6H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097117
PNG
(CHEMBL3580922)
Show SMILES COc1ccc2[nH]cc(Cc3n[nH]c(=O)n3C)c2c1
Show InChI InChI=1S/C13H14N4O2/c1-17-12(15-16-13(17)18)5-8-7-14-11-4-3-9(19-2)6-10(8)11/h3-4,6-7,14H,5H2,1-2H3,(H,16,18)
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>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097050
PNG
(CHEMBL3580912)
Show SMILES COc1ccc2[nH]cc(CCc3ncc(C)o3)c2c1
Show InChI InChI=1S/C15H16N2O2/c1-10-8-17-15(19-10)6-3-11-9-16-14-5-4-12(18-2)7-13(11)14/h4-5,7-9,16H,3,6H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097118
PNG
(CHEMBL3580923)
Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=O)n3C)c2c1
Show InChI InChI=1S/C14H16N4O2/c1-18-13(16-17-14(18)19)6-3-9-8-15-12-5-4-10(20-2)7-11(9)12/h4-5,7-8,15H,3,6H2,1-2H3,(H,17,19)
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IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097068
PNG
(CHEMBL3580918)
Show SMILES COc1ccc2[nH]cc(Cc3n[nH]c(=O)o3)c2c1
Show InChI InChI=1S/C12H11N3O3/c1-17-8-2-3-10-9(5-8)7(6-13-10)4-11-14-15-12(16)18-11/h2-3,5-6,13H,4H2,1H3,(H,15,16)
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IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096970
PNG
(CHEMBL3580925)
Show SMILES CCn1c(CCc2c[nH]c3ccc(OC)cc23)n[nH]c1=S
Show InChI InChI=1S/C15H18N4OS/c1-3-19-14(17-18-15(19)21)7-4-10-9-16-13-6-5-11(20-2)8-12(10)13/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,18,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097048
PNG
(CHEMBL3580911)
Show SMILES COc1ccc2[nH]cc(Cc3ncc(C)o3)c2c1
Show InChI InChI=1S/C14H14N2O2/c1-9-7-16-14(18-9)5-10-8-15-13-4-3-11(17-2)6-12(10)13/h3-4,6-8,15H,5H2,1-2H3
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IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097118
PNG
(CHEMBL3580923)
Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=O)n3C)c2c1
Show InChI InChI=1S/C14H16N4O2/c1-18-13(16-17-14(18)19)6-3-9-8-15-12-5-4-10(20-2)7-11(9)12/h4-5,7-8,15H,3,6H2,1-2H3,(H,17,19)
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>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096971
PNG
(CHEMBL3580926)
Show SMILES CCNc1nnc(Cc2c[nH]c3ccc(OC)cc23)s1
Show InChI InChI=1S/C14H16N4OS/c1-3-15-14-18-17-13(20-14)6-9-8-16-12-5-4-10(19-2)7-11(9)12/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,18)
PDB

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>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096970
PNG
(CHEMBL3580925)
Show SMILES CCn1c(CCc2c[nH]c3ccc(OC)cc23)n[nH]c1=S
Show InChI InChI=1S/C15H18N4OS/c1-3-19-14(17-18-15(19)21)7-4-10-9-16-13-6-5-11(20-2)8-12(10)13/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,18,21)
PDB

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>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50096969
PNG
(CHEMBL3580924)
Show SMILES CCn1c(Cc2c[nH]c3ccc(OC)cc23)n[nH]c1=S
Show InChI InChI=1S/C14H16N4OS/c1-3-18-13(16-17-14(18)20)6-9-8-15-12-5-4-10(19-2)7-11(9)12/h4-5,7-8,15H,3,6H2,1-2H3,(H,17,20)
PDB

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>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097065
PNG
(CHEMBL3580914)
Show SMILES COc1ccc2[nH]cc(CCc3nc(C)no3)c2c1
Show InChI InChI=1S/C14H15N3O2/c1-9-16-14(19-17-9)6-3-10-8-15-13-5-4-11(18-2)7-12(10)13/h4-5,7-8,15H,3,6H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
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