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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'gentile' and Initial = 'aj'   
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))
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))
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))
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))
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))
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))
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))
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))
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))
BDBM50142228
PNG
(CHEMBL7700 | N-[4-(2,3-Dihydro-benzofuran-4-yloxy)...)
Show SMILES CCCC(=O)Nc1ccc(Oc2cccc3OCCc23)cc1
Show InChI InChI=1S/C18H19NO3/c1-2-4-18(20)19-13-7-9-14(10-8-13)22-17-6-3-5-16-15(17)11-12-21-16/h3,5-10H,2,4,11-12H2,1H3,(H,19,20)
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0.680n/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))
BDBM50142204
PNG
(CHEMBL8169 | N-[4-(2,3-Dihydro-benzofuran-4-ylmeth...)
Show SMILES CCCC(=O)Nc1ccc(Cc2cccc3OCCc23)cc1
Show InChI InChI=1S/C19H21NO2/c1-2-4-19(21)20-16-9-7-14(8-10-16)13-15-5-3-6-18-17(15)11-12-22-18/h3,5-10H,2,4,11-13H2,1H3,(H,20,21)
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0.710n/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))
BDBM50142208
PNG
(CHEMBL7599 | N-[4-(3-Methoxy-phenoxy)-phenyl]-buty...)
Show SMILES CCCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1
Show InChI InChI=1S/C17H19NO3/c1-3-5-17(19)18-13-8-10-14(11-9-13)21-16-7-4-6-15(12-16)20-2/h4,6-12H,3,5H2,1-2H3,(H,18,19)
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0.75n/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))
BDBM50142215
PNG
(CHEMBL7650 | Pentanoic acid [4-(3-methoxy-phenoxy)...)
Show SMILES CCCCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1
Show InChI InChI=1S/C18H21NO3/c1-3-4-8-18(20)19-14-9-11-15(12-10-14)22-17-7-5-6-16(13-17)21-2/h5-7,9-13H,3-4,8H2,1-2H3,(H,19,20)
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0.75n/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))
BDBM50142201
PNG
(CHEMBL7875 | N-(4-Benzofuran-4-ylmethyl-phenyl)-bu...)
Show SMILES CCCC(=O)Nc1ccc(Cc2cccc3occc23)cc1
Show InChI InChI=1S/C19H19NO2/c1-2-4-19(21)20-16-9-7-14(8-10-16)13-15-5-3-6-18-17(15)11-12-22-18/h3,5-12H,2,4,13H2,1H3,(H,20,21)
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0.780n/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))
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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1n/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))
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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1.10n/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))
BDBM50142219
PNG
(CHEMBL7215 | N-[4-(3-Methoxy-phenylamino)-phenyl]-...)
Show SMILES CCC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1
Show InChI InChI=1S/C16H18N2O2/c1-3-16(19)18-13-9-7-12(8-10-13)17-14-5-4-6-15(11-14)20-2/h4-11,17H,3H2,1-2H3,(H,18,19)
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1.80n/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))
BDBM50142213
PNG
((E)-But-2-enoic acid [4-(3-methoxy-phenoxy)-phenyl...)
Show SMILES COc1cccc(Oc2ccc(NC(=O)\C=C\C)cc2)c1
Show InChI InChI=1S/C17H17NO3/c1-3-5-17(19)18-13-8-10-14(11-9-13)21-16-7-4-6-15(12-16)20-2/h3-12H,1-2H3,(H,18,19)/b5-3+
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2.10n/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))
BDBM50142203
PNG
(CHEMBL8094 | N-[4-(3-Methoxy-phenoxy)-phenyl]-acet...)
Show SMILES COc1cccc(Oc2ccc(NC(C)=O)cc2)c1
Show InChI InChI=1S/C15H15NO3/c1-11(17)16-12-6-8-13(9-7-12)19-15-5-3-4-14(10-15)18-2/h3-10H,1-2H3,(H,16,17)
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4.10n/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))
BDBM50142210
PNG
(CHEMBL268165 | N-[4-(3-Methoxy-phenylamino)-phenyl...)
Show SMILES COc1cccc(Nc2ccc(NC(C)=O)cc2)c1
Show InChI InChI=1S/C15H16N2O2/c1-11(18)16-12-6-8-13(9-7-12)17-14-4-3-5-15(10-14)19-2/h3-10,17H,1-2H3,(H,16,18)
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4.20n/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))
BDBM50142225
PNG
(CHEMBL8032 | N-[4-(Benzo[1,3]dioxol-4-yloxy)-pheny...)
Show SMILES CCCC(=O)Nc1ccc(Oc2cccc3OCCOc23)cc1
Show InChI InChI=1S/C18H19NO4/c1-2-4-17(20)19-13-7-9-14(10-8-13)23-16-6-3-5-15-18(16)22-12-11-21-15/h3,5-10H,2,4,11-12H2,1H3,(H,19,20)
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4.70n/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))
BDBM50142227
PNG
(CHEMBL7567 | Cyclopropanecarboxylic acid {4-[(3-me...)
Show SMILES COc1cccc(c1)N(C)c1ccc(NC(=O)C2CC2)cc1
Show InChI InChI=1S/C18H20N2O2/c1-20(16-4-3-5-17(12-16)22-2)15-10-8-14(9-11-15)19-18(21)13-6-7-13/h3-5,8-13H,6-7H2,1-2H3,(H,19,21)
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4.80n/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))
BDBM50142223
PNG
(CHEMBL7990 | N-{4-[(3-Methoxy-phenyl)-methyl-amino...)
Show SMILES COc1cccc(c1)N(C)c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C18H22N2O2/c1-13(2)18(21)19-14-8-10-15(11-9-14)20(3)16-6-5-7-17(12-16)22-4/h5-13H,1-4H3,(H,19,21)
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5.5n/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))
BDBM50142226
PNG
(2-Methoxy-N-[4-(3-methoxy-phenoxy)-phenyl]-acetami...)
Show SMILES COCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1
Show InChI InChI=1S/C16H17NO4/c1-19-11-16(18)17-12-6-8-13(9-7-12)21-15-5-3-4-14(10-15)20-2/h3-10H,11H2,1-2H3,(H,17,18)
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5.90n/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))
BDBM50142217
PNG
(CHEMBL266970 | N-[4-(3-Methoxy-phenoxy)-phenyl]-pr...)
Show SMILES CCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1
Show InChI InChI=1S/C16H17NO3/c1-3-16(18)17-12-7-9-13(10-8-12)20-15-6-4-5-14(11-15)19-2/h4-11H,3H2,1-2H3,(H,17,18)
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6.80n/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))
BDBM50142218
PNG
(CHEMBL7556 | {4-[(3-Methoxy-phenyl)-methyl-amino]-...)
Show SMILES CCOC(=O)Nc1ccc(cc1)N(C)c1cccc(OC)c1
Show InChI InChI=1S/C17H20N2O3/c1-4-22-17(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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7.20n/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))
BDBM50142211
PNG
(CHEMBL7637 | N-[4-(3-Methoxy-benzenesulfonyl)-phen...)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(=O)(=O)c1cccc(OC)c1
Show InChI InChI=1S/C17H19NO4S/c1-3-5-17(19)18-13-8-10-15(11-9-13)23(20,21)16-7-4-6-14(12-16)22-2/h4,6-12H,3,5H2,1-2H3,(H,18,19)
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10n/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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11n/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))
BDBM50142227
PNG
(CHEMBL7567 | Cyclopropanecarboxylic acid {4-[(3-me...)
Show SMILES COc1cccc(c1)N(C)c1ccc(NC(=O)C2CC2)cc1
Show InChI InChI=1S/C18H20N2O2/c1-20(16-4-3-5-17(12-16)22-2)15-10-8-14(9-11-15)19-18(21)13-6-7-13/h3-5,8-13H,6-7H2,1-2H3,(H,19,21)
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12n/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))
BDBM50142221
PNG
(CHEMBL7673 | Cyclopropanecarboxylic acid [4-(3-met...)
Show SMILES COc1cccc(Oc2ccc(NC(=O)C3CC3)cc2)c1
Show InChI InChI=1S/C17H17NO3/c1-20-15-3-2-4-16(11-15)21-14-9-7-13(8-10-14)18-17(19)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,18,19)
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13n/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))
BDBM50142224
PNG
(CHEMBL7708 | N-[4-(3-Methoxy-phenoxy)-phenyl]-3-me...)
Show SMILES COc1cccc(Oc2ccc(NC(=O)CC(C)C)cc2)c1
Show InChI InChI=1S/C18H21NO3/c1-13(2)11-18(20)19-14-7-9-15(10-8-14)22-17-6-4-5-16(12-17)21-3/h4-10,12-13H,11H2,1-3H3,(H,19,20)
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15n/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))
BDBM50142228
PNG
(CHEMBL7700 | N-[4-(2,3-Dihydro-benzofuran-4-yloxy)...)
Show SMILES CCCC(=O)Nc1ccc(Oc2cccc3OCCc23)cc1
Show InChI InChI=1S/C18H19NO3/c1-2-4-18(20)19-13-7-9-14(10-8-13)22-17-6-3-5-16-15(17)11-12-21-16/h3,5-10H,2,4,11-12H2,1H3,(H,19,20)
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18n/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))
BDBM50142230
PNG
(CHEMBL416328 | N-[3-(3-Methoxy-phenoxy)-phenyl]-bu...)
Show SMILES CCCC(=O)Nc1cccc(Oc2cccc(OC)c2)c1
Show InChI InChI=1S/C17H19NO3/c1-3-6-17(19)18-13-7-4-9-15(11-13)21-16-10-5-8-14(12-16)20-2/h4-5,7-12H,3,6H2,1-2H3,(H,18,19)
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27n/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))
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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29n/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))
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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31n/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))
BDBM50142222
PNG
(CHEMBL8200 | N-[4-(3-Methoxy-benzoyl)-phenyl]-buty...)
Show SMILES CCCC(=O)Nc1ccc(cc1)C(=O)c1cccc(OC)c1
Show InChI InChI=1S/C18H19NO3/c1-3-5-17(20)19-15-10-8-13(9-11-15)18(21)14-6-4-7-16(12-14)22-2/h4,6-12H,3,5H2,1-2H3,(H,19,20)
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33n/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))
BDBM50142218
PNG
(CHEMBL7556 | {4-[(3-Methoxy-phenyl)-methyl-amino]-...)
Show SMILES CCOC(=O)Nc1ccc(cc1)N(C)c1cccc(OC)c1
Show InChI InChI=1S/C17H20N2O3/c1-4-22-17(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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34n/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))
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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36n/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))
BDBM50142212
PNG
(CHEMBL8004 | N-[4-(2,3-Dihydro-benzofuran-4-ylamin...)
Show SMILES CCCC(=O)Nc1ccc(Nc2cccc3OCCc23)cc1
Show InChI InChI=1S/C18H20N2O2/c1-2-4-18(21)20-14-9-7-13(8-10-14)19-16-5-3-6-17-15(16)11-12-22-17/h3,5-10,19H,2,4,11-12H2,1H3,(H,20,21)
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39n/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))
BDBM50142204
PNG
(CHEMBL8169 | N-[4-(2,3-Dihydro-benzofuran-4-ylmeth...)
Show SMILES CCCC(=O)Nc1ccc(Cc2cccc3OCCc23)cc1
Show InChI InChI=1S/C19H21NO2/c1-2-4-19(21)20-16-9-7-14(8-10-16)13-15-5-3-6-18-17(15)11-12-22-18/h3,5-10H,2,4,11-13H2,1H3,(H,20,21)
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41n/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))
BDBM50142219
PNG
(CHEMBL7215 | N-[4-(3-Methoxy-phenylamino)-phenyl]-...)
Show SMILES CCC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1
Show InChI InChI=1S/C16H18N2O2/c1-3-16(19)18-13-9-7-12(8-10-13)17-14-5-4-6-15(11-14)20-2/h4-11,17H,3H2,1-2H3,(H,18,19)
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61n/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))
BDBM50142229
PNG
(CHEMBL7713 | Cyclopropanecarboxylic acid [4-(3-met...)
Show SMILES COc1cccc(Nc2ccc(NC(=O)C3CC3)cc2)c1
Show InChI InChI=1S/C17H18N2O2/c1-21-16-4-2-3-15(11-16)18-13-7-9-14(10-8-13)19-17(20)12-5-6-12/h2-4,7-12,18H,5-6H2,1H3,(H,19,20)
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61n/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))
BDBM50142208
PNG
(CHEMBL7599 | N-[4-(3-Methoxy-phenoxy)-phenyl]-buty...)
Show SMILES CCCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1
Show InChI InChI=1S/C17H19NO3/c1-3-5-17(19)18-13-8-10-14(11-9-13)21-16-7-4-6-15(12-16)20-2/h4,6-12H,3,5H2,1-2H3,(H,18,19)
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63n/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))
BDBM50142215
PNG
(CHEMBL7650 | Pentanoic acid [4-(3-methoxy-phenoxy)...)
Show SMILES CCCCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1
Show InChI InChI=1S/C18H21NO3/c1-3-4-8-18(20)19-14-9-11-15(12-10-14)22-17-7-5-6-16(13-17)21-2/h5-7,9-13H,3-4,8H2,1-2H3,(H,19,20)
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63n/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))
BDBM50142229
PNG
(CHEMBL7713 | Cyclopropanecarboxylic acid [4-(3-met...)
Show SMILES COc1cccc(Nc2ccc(NC(=O)C3CC3)cc2)c1
Show InChI InChI=1S/C17H18N2O2/c1-21-16-4-2-3-15(11-16)18-13-7-9-14(10-8-13)19-17(20)12-5-6-12/h2-4,7-12,18H,5-6H2,1H3,(H,19,20)
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64n/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))
BDBM50142210
PNG
(CHEMBL268165 | N-[4-(3-Methoxy-phenylamino)-phenyl...)
Show SMILES COc1cccc(Nc2ccc(NC(C)=O)cc2)c1
Show InChI InChI=1S/C15H16N2O2/c1-11(18)16-12-6-8-13(9-7-12)17-14-4-3-5-15(10-14)19-2/h3-10,17H,1-2H3,(H,16,18)
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84n/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))
BDBM50142233
PNG
(CHEMBL7874 | N-[4-(3-Methoxy-phenylamino)-phenyl]-...)
Show SMILES COc1cccc(Nc2ccc(NC(=O)C(C)C)cc2)c1
Show InChI InChI=1S/C17H20N2O2/c1-12(2)17(20)19-14-9-7-13(8-10-14)18-15-5-4-6-16(11-15)21-3/h4-12,18H,1-3H3,(H,19,20)
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84n/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))
BDBM50142203
PNG
(CHEMBL8094 | N-[4-(3-Methoxy-phenoxy)-phenyl]-acet...)
Show SMILES COc1cccc(Oc2ccc(NC(C)=O)cc2)c1
Show InChI InChI=1S/C15H15NO3/c1-11(17)16-12-6-8-13(9-7-12)19-15-5-3-4-14(10-15)18-2/h3-10H,1-2H3,(H,16,17)
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84n/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))
BDBM50142201
PNG
(CHEMBL7875 | N-(4-Benzofuran-4-ylmethyl-phenyl)-bu...)
Show SMILES CCCC(=O)Nc1ccc(Cc2cccc3occc23)cc1
Show InChI InChI=1S/C19H19NO2/c1-2-4-19(21)20-16-9-7-14(8-10-16)13-15-5-3-6-18-17(15)11-12-22-18/h3,5-12H,2,4,13H2,1H3,(H,20,21)
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92n/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
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