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Compile Data Set for Download or QSAR

Found 606 hits with Last Name = 'iben' and Initial = 'l'   
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))
BDBM50140304
PNG
(CHEMBL19211 | N-[(1R,2R)-2-(2-Propyl-2,3-dihydro-b...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CCC)c2O1
Show InChI InChI=1S/C18H26N2O2/c1-3-6-16(21)19-11-12-10-14(12)13-8-5-9-15-18(13)22-17(20-15)7-4-2/h5,8-9,12,14,17,20H,3-4,6-7,10-11H2,1-2H3,(H,19,21)/t12-,14+,17?/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452036
PNG
(CHEMBL2112734)
Show SMILES O=C(NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12)C1CC1
Show InChI InChI=1S/C25H28N2O2/c28-25(18-13-14-18)26-16-19-15-21(19)20-10-6-11-22-24(20)29-23(27-22)12-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-11,18-19,21H,4-5,9,12-16H2,(H,26,28)/t19-,21+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452035
PNG
(CHEMBL2112722)
Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12
Show InChI InChI=1S/C17H22N2O2/c1-3-6-15(20)18-10-11-9-13(11)12-7-5-8-14-17(12)21-16(4-2)19-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3,(H,18,20)/t11-,13+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452034
PNG
(CHEMBL2112724)
Show SMILES CCc1nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2o1
Show InChI InChI=1S/C17H20N2O2/c1-2-15-19-14-5-3-4-12(16(14)21-15)13-8-11(13)9-18-17(20)10-6-7-10/h3-5,10-11,13H,2,6-9H2,1H3,(H,18,20)/t11-,13+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452033
PNG
(CHEMBL2112690)
Show SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12
Show InChI InChI=1S/C24H28N2O2/c1-2-22(27)25-16-18-15-20(18)19-12-8-13-21-24(19)28-23(26-21)14-7-6-11-17-9-4-3-5-10-17/h3-5,8-10,12-13,18,20H,2,6-7,11,14-16H2,1H3,(H,25,27)/t18-,20+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452032
PNG
(CHEMBL2112727)
Show SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-10-8-12(10)11-6-5-7-13-16(11)20-15(4-2)18-13/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,17,19)/t10-,12+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452037
PNG
(CHEMBL2112700)
Show SMILES CC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12
Show InChI InChI=1S/C23H26N2O2/c1-16(26)24-15-18-14-20(18)19-11-7-12-21-23(19)27-22(25-21)13-6-5-10-17-8-3-2-4-9-17/h2-4,7-9,11-12,18,20H,5-6,10,13-15H2,1H3,(H,24,26)/t18-,20+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140301
PNG
(CHEMBL19026 | N-{(1R,2R)-2-[2-(4-Phenyl-butyl)-2,3...)
Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(CCCCc3ccccc3)Oc12
Show InChI InChI=1S/C25H32N2O2/c1-2-9-23(28)26-17-19-16-21(19)20-13-8-14-22-25(20)29-24(27-22)15-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13-14,19,21,24,27H,2,6-7,9,12,15-17H2,1H3,(H,26,28)/t19-,21+,24?/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50142220
PNG
(CHEMBL8168 | N-{4-[(3-Methoxy-phenyl)-methyl-amino...)
Show SMILES COc1cccc(c1)N(C)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C16H18N2O2/c1-12(19)17-13-7-9-14(10-8-13)18(2)15-5-4-6-16(11-15)20-3/h4-11H,1-3H3,(H,17,19)
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452033
PNG
(CHEMBL2112690)
Show SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12
Show InChI InChI=1S/C24H28N2O2/c1-2-22(27)25-16-18-15-20(18)19-12-8-13-21-24(19)28-23(26-21)14-7-6-11-17-9-4-3-5-10-17/h3-5,8-10,12-13,18,20H,2,6-7,11,14-16H2,1H3,(H,25,27)/t18-,20+/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140299
PNG
(CHEMBL276921 | N-[(1R,2R)-2-(2-Propyl-2,3-dihydro-...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CC)c2O1
Show InChI InChI=1S/C17H24N2O2/c1-3-6-16-19-14-8-5-7-12(17(14)21-16)13-9-11(13)10-18-15(20)4-2/h5,7-8,11,13,16,19H,3-4,6,9-10H2,1-2H3,(H,18,20)/t11-,13+,16?/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50142200
PNG
(CHEMBL266549 | N-{4-[(3-Methoxy-phenyl)-methyl-ami...)
Show SMILES CCCC(=O)Nc1ccc(cc1)N(C)c1cccc(OC)c1
Show InChI InChI=1S/C18H22N2O2/c1-4-6-18(21)19-14-9-11-15(12-10-14)20(2)16-7-5-8-17(13-16)22-3/h5,7-13H,4,6H2,1-3H3,(H,19,21)
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0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50142231
PNG
(CHEMBL7867 | N-[4-(3-Methoxy-benzyl)-phenyl]-butyr...)
Show SMILES CCCC(=O)Nc1ccc(Cc2cccc(OC)c2)cc1
Show InChI InChI=1S/C18H21NO2/c1-3-5-18(20)19-16-10-8-14(9-11-16)12-15-6-4-7-17(13-15)21-2/h4,6-11,13H,3,5,12H2,1-2H3,(H,19,20)
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140308
PNG
(CHEMBL18845 | N-{(1R,2R)-2-[2-(4-Phenyl-butyl)-2,3...)
Show SMILES CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2NC(CCCCc3ccccc3)Oc12
Show InChI InChI=1S/C25H32N2O2/c1-17(2)25(28)26-16-19-15-21(19)20-12-8-13-22-24(20)29-23(27-22)14-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,12-13,17,19,21,23,27H,6-7,11,14-16H2,1-2H3,(H,26,28)/t19-,21+,23?/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140293
PNG
(CHEMBL19128 | N-[(1R,2R)-2-(2-Propyl-2,3-dihydro-b...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1
Show InChI InChI=1S/C16H22N2O2/c1-3-5-15-18-14-7-4-6-12(16(14)20-15)13-8-11(13)9-17-10(2)19/h4,6-7,11,13,15,18H,3,5,8-9H2,1-2H3,(H,17,19)/t11-,13+,15?/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140302
PNG
(CHEMBL279343 | Cyclopropanecarboxylic acid [(1R,2R...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2O1
Show InChI InChI=1S/C18H24N2O2/c1-2-4-16-20-15-6-3-5-13(17(15)22-16)14-9-12(14)10-19-18(21)11-7-8-11/h3,5-6,11-12,14,16,20H,2,4,7-10H2,1H3,(H,19,21)/t12-,14+,16?/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50136402
PNG
(CHEMBL136531 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...)
Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50142214
PNG
(CHEMBL7832 | N-{4-[(3-Methoxy-phenyl)-methyl-amino...)
Show SMILES CCC(=O)Nc1ccc(cc1)N(C)c1cccc(OC)c1
Show InChI InChI=1S/C17H20N2O2/c1-4-17(20)18-13-8-10-14(11-9-13)19(2)15-6-5-7-16(12-15)21-3/h5-12H,4H2,1-3H3,(H,18,20)
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0.170n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50136400
PNG
(CHEMBL343825 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...)
Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C15H20N2O2/c1-2-15(18)16-11-6-8-17(10-11)13-4-3-5-14-12(13)7-9-19-14/h3-5,11H,2,6-10H2,1H3,(H,16,18)/t11-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140302
PNG
(CHEMBL279343 | Cyclopropanecarboxylic acid [(1R,2R...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2O1
Show InChI InChI=1S/C18H24N2O2/c1-2-4-16-20-15-6-3-5-13(17(15)22-16)14-9-12(14)10-19-18(21)11-7-8-11/h3,5-6,11-12,14,16,20H,2,4,7-10H2,1H3,(H,19,21)/t12-,14+,16?/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50142202
PNG
(CHEMBL7771 | N-[4-(3-Methoxy-phenylsulfanyl)-pheny...)
Show SMILES CCCC(=O)Nc1ccc(Sc2cccc(OC)c2)cc1
Show InChI InChI=1S/C17H19NO2S/c1-3-5-17(19)18-13-8-10-15(11-9-13)21-16-7-4-6-14(12-16)20-2/h4,6-12H,3,5H2,1-2H3,(H,18,19)
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0.190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452034
PNG
(CHEMBL2112724)
Show SMILES CCc1nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2o1
Show InChI InChI=1S/C17H20N2O2/c1-2-15-19-14-5-3-4-12(16(14)21-15)13-8-11(13)9-18-17(20)10-6-7-10/h3-5,10-11,13H,2,6-9H2,1H3,(H,18,20)/t11-,13+/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140305
PNG
(CHEMBL431103 | N-[(1R,2R)-2-(2-Ethyl-2,3-dihydro-b...)
Show SMILES CCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1
Show InChI InChI=1S/C17H24N2O2/c1-4-15-19-14-7-5-6-12(16(14)21-15)13-8-11(13)9-18-17(20)10(2)3/h5-7,10-11,13,15,19H,4,8-9H2,1-3H3,(H,18,20)/t11-,13+,15?/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140299
PNG
(CHEMBL276921 | N-[(1R,2R)-2-(2-Propyl-2,3-dihydro-...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CC)c2O1
Show InChI InChI=1S/C17H24N2O2/c1-3-6-16-19-14-8-5-7-12(17(14)21-16)13-9-11(13)10-18-15(20)4-2/h5,7-8,11,13,16,19H,3-4,6,9-10H2,1-2H3,(H,18,20)/t11-,13+,16?/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50142220
PNG
(CHEMBL8168 | N-{4-[(3-Methoxy-phenyl)-methyl-amino...)
Show SMILES COc1cccc(c1)N(C)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C16H18N2O2/c1-12(19)17-13-7-9-14(10-8-13)18(2)15-5-4-6-16(11-15)20-3/h4-11H,1-3H3,(H,17,19)
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0.230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140301
PNG
(CHEMBL19026 | N-{(1R,2R)-2-[2-(4-Phenyl-butyl)-2,3...)
Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(CCCCc3ccccc3)Oc12
Show InChI InChI=1S/C25H32N2O2/c1-2-9-23(28)26-17-19-16-21(19)20-13-8-14-22-25(20)29-24(27-22)15-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13-14,19,21,24,27H,2,6-7,9,12,15-17H2,1H3,(H,26,28)/t19-,21+,24?/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140311
PNG
(CHEMBL19050 | N-[(1R,2R)-2-(2-Propyl-2,3-dihydro-b...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1
Show InChI InChI=1S/C18H26N2O2/c1-4-6-16-20-15-8-5-7-13(17(15)22-16)14-9-12(14)10-19-18(21)11(2)3/h5,7-8,11-12,14,16,20H,4,6,9-10H2,1-3H3,(H,19,21)/t12-,14+,16?/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair
Melatonin receptor


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin


Bioorg Med Chem Lett 15: 1345-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.015
BindingDB Entry DOI: 10.7270/Q2KS6R1N
More data for this
Ligand-Target Pair
Melatonin receptor


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 5157-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.055
BindingDB Entry DOI: 10.7270/Q2M044XG
More data for this
Ligand-Target Pair
Melatonin receptor


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1B by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 14: 3799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.082
BindingDB Entry DOI: 10.7270/Q2S75FSR
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50136402
PNG
(CHEMBL136531 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...)
Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140313
PNG
(CHEMBL428692 | N-[(1R,2R)-2-(2-Isopropyl-2,3-dihyd...)
Show SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(Oc12)C(C)C
Show InChI InChI=1S/C17H24N2O2/c1-4-15(20)18-9-11-8-13(11)12-6-5-7-14-16(12)21-17(19-14)10(2)3/h5-7,10-11,13,17,19H,4,8-9H2,1-3H3,(H,18,20)/t11-,13+,17?/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
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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0.320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452035
PNG
(CHEMBL2112722)
Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12
Show InChI InChI=1S/C17H22N2O2/c1-3-6-15(20)18-10-11-9-13(11)12-7-5-8-14-17(12)21-16(4-2)19-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3,(H,18,20)/t11-,13+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140315
PNG
(CHEMBL18960 | N-[(1R,2R)-2-(2-Ethyl-2,3-dihydro-be...)
Show SMILES CCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1
Show InChI InChI=1S/C15H20N2O2/c1-3-14-17-13-6-4-5-11(15(13)19-14)12-7-10(12)8-16-9(2)18/h4-6,10,12,14,17H,3,7-8H2,1-2H3,(H,16,18)/t10-,12+,14?/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452037
PNG
(CHEMBL2112700)
Show SMILES CC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12
Show InChI InChI=1S/C23H26N2O2/c1-16(26)24-15-18-14-20(18)19-11-7-12-21-23(19)27-22(25-21)13-6-5-10-17-8-3-2-4-9-17/h2-4,7-9,11-12,18,20H,5-6,10,13-15H2,1H3,(H,24,26)/t18-,20+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50142198
PNG
(CHEMBL7229 | N-[4-(3-Methoxy-phenylamino)-phenyl]-...)
Show SMILES CCCC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1
Show InChI InChI=1S/C17H20N2O2/c1-3-5-17(20)19-14-10-8-13(9-11-14)18-15-6-4-7-16(12-15)21-2/h4,6-12,18H,3,5H2,1-2H3,(H,19,20)
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0.390n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
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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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
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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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50136400
PNG
(CHEMBL343825 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...)
Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C15H20N2O2/c1-2-15(18)16-11-6-8-17(10-11)13-4-3-5-14-12(13)7-9-19-14/h3-5,11H,2,6-10H2,1H3,(H,16,18)/t11-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
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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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1A by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 14: 3799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.082
BindingDB Entry DOI: 10.7270/Q2S75FSR
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50136409
PNG
(1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...)
Show SMILES CCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m1/s1
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0.420n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452032
PNG
(CHEMBL2112727)
Show SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-10-8-12(10)11-6-5-7-13-16(11)20-15(4-2)18-13/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,17,19)/t10-,12+/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452036
PNG
(CHEMBL2112734)
Show SMILES O=C(NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12)C1CC1
Show InChI InChI=1S/C25H28N2O2/c28-25(18-13-14-18)26-16-19-15-21(19)20-10-6-11-22-24(20)29-23(27-22)12-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-11,18-19,21H,4-5,9,12-16H2,(H,26,28)/t19-,21+/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50142197
PNG
(CHEMBL7807 | N-{4-[(2,3-Dihydro-benzofuran-4-yl)-m...)
Show SMILES CCCC(=O)Nc1ccc(cc1)N(C)c1cccc2OCCc12
Show InChI InChI=1S/C19H22N2O2/c1-3-5-19(22)20-14-8-10-15(11-9-14)21(2)17-6-4-7-18-16(17)12-13-23-18/h4,6-11H,3,5,12-13H2,1-2H3,(H,20,22)
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0.490n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
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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0.530n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140297
PNG
(CHEMBL18846 | Cyclopropanecarboxylic acid [(1R,2R)...)
Show SMILES CC(C)C1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2O1
Show InChI InChI=1S/C18H24N2O2/c1-10(2)18-20-15-5-3-4-13(16(15)22-18)14-8-12(14)9-19-17(21)11-6-7-11/h3-5,10-12,14,18,20H,6-9H2,1-2H3,(H,19,21)/t12-,14+,18?/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50149181
PNG
(CHEMBL334079 | Cyclopropanecarboxylic acid {3-[2-(...)
Show SMILES O=C(NCCCc1cccc2nc(CCCCc3ccccc3)oc12)C1CC1
Show InChI InChI=1S/C24H28N2O2/c27-24(20-15-16-20)25-17-7-12-19-11-6-13-21-23(19)28-22(26-21)14-5-4-10-18-8-2-1-3-9-18/h1-3,6,8-9,11,13,20H,4-5,7,10,12,14-17H2,(H,25,27)
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0.630n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1A by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 14: 3799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.082
BindingDB Entry DOI: 10.7270/Q2S75FSR
More data for this
Ligand-Target Pair
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