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27 similar compounds to monomer 50149169

Compile data set for download or QSAR
Wt: 272.3
BDBM50452032
Wt: 284.3
BDBM50452034
Wt: 286.3
BDBM50452035
Wt: 246.3
BDBM50149158
Wt: 274.3
BDBM50149159
Wt: 232.2
BDBM50149160
Wt: 288.3
BDBM50149161
Wt: 286.3
BDBM50149163
Wt: 274.3
BDBM50149164
Wt: 260.3
BDBM50149165
Wt: 260.3
BDBM50149166
Wt: 288.3
BDBM50149171
Wt: 286.3
BDBM50149172
Wt: 260.3
BDBM50149173
Wt: 288.3
BDBM50149175
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50452032,50452034,50452035,50149158,50149159,50149160,50149161,50149163,50149164,50149165,50149166,50149171,50149172,50149173,50149175   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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))
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))
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))
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))
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))
BDBM50149173
PNG
(CHEMBL124362 | N-[3-(2-Ethyl-benzooxazol-7-yl)-pro...)
Show SMILES CCC(=O)NCCCc1cccc2nc(CC)oc12
Show InChI InChI=1S/C15H20N2O2/c1-3-13(18)16-10-6-8-11-7-5-9-12-15(11)19-14(4-2)17-12/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,18)
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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 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))
BDBM50149164
PNG
(CHEMBL124422 | N-[3-(2-Ethyl-benzooxazol-7-yl)-pro...)
Show SMILES CCCC(=O)NCCCc1cccc2nc(CC)oc12
Show InChI InChI=1S/C16H22N2O2/c1-3-7-14(19)17-11-6-9-12-8-5-10-13-16(12)20-15(4-2)18-13/h5,8,10H,3-4,6-7,9,11H2,1-2H3,(H,17,19)
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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 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))
BDBM50149158
PNG
(CHEMBL125665 | N-[3-(2-Ethyl-benzooxazol-7-yl)-pro...)
Show SMILES CCc1nc2cccc(CCCNC(C)=O)c2o1
Show InChI InChI=1S/C14H18N2O2/c1-3-13-16-12-8-4-6-11(14(12)18-13)7-5-9-15-10(2)17/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17)
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2.30n/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))
BDBM50149165
PNG
(CHEMBL127596 | N-[3-(2-Methyl-benzooxazol-7-yl)-pr...)
Show SMILES CC(C)C(=O)NCCCc1cccc2nc(C)oc12
Show InChI InChI=1S/C15H20N2O2/c1-10(2)15(18)16-9-5-7-12-6-4-8-13-14(12)19-11(3)17-13/h4,6,8,10H,5,7,9H2,1-3H3,(H,16,18)
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2.30n/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))
BDBM50149165
PNG
(CHEMBL127596 | N-[3-(2-Methyl-benzooxazol-7-yl)-pr...)
Show SMILES CC(C)C(=O)NCCCc1cccc2nc(C)oc12
Show InChI InChI=1S/C15H20N2O2/c1-10(2)15(18)16-9-5-7-12-6-4-8-13-14(12)19-11(3)17-13/h4,6,8,10H,5,7,9H2,1-3H3,(H,16,18)
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3n/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))
BDBM50149173
PNG
(CHEMBL124362 | N-[3-(2-Ethyl-benzooxazol-7-yl)-pro...)
Show SMILES CCC(=O)NCCCc1cccc2nc(CC)oc12
Show InChI InChI=1S/C15H20N2O2/c1-3-13(18)16-10-6-8-11-7-5-9-12-15(11)19-14(4-2)17-12/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,18)
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3.5n/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))
BDBM50149160
PNG
(CHEMBL333810 | N-[3-(2-Methyl-benzooxazol-7-yl)-pr...)
Show SMILES CC(=O)NCCCc1cccc2nc(C)oc12
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-8-4-6-11-5-3-7-12-13(11)17-10(2)15-12/h3,5,7H,4,6,8H2,1-2H3,(H,14,16)
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5.30n/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))
BDBM50149163
PNG
(CHEMBL123899 | Cyclopropanecarboxylic acid [3-(2-p...)
Show SMILES CCCc1nc2cccc(CCCNC(=O)C3CC3)c2o1
Show InChI InChI=1S/C17H22N2O2/c1-2-5-15-19-14-8-3-6-12(16(14)21-15)7-4-11-18-17(20)13-9-10-13/h3,6,8,13H,2,4-5,7,9-11H2,1H3,(H,18,20)
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7.60n/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))
BDBM50149164
PNG
(CHEMBL124422 | N-[3-(2-Ethyl-benzooxazol-7-yl)-pro...)
Show SMILES CCCC(=O)NCCCc1cccc2nc(CC)oc12
Show InChI InChI=1S/C16H22N2O2/c1-3-7-14(19)17-11-6-9-12-8-5-10-13-16(12)20-15(4-2)18-13/h5,8,10H,3-4,6-7,9,11H2,1-2H3,(H,17,19)
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8.10n/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))
BDBM50149158
PNG
(CHEMBL125665 | N-[3-(2-Ethyl-benzooxazol-7-yl)-pro...)
Show SMILES CCc1nc2cccc(CCCNC(C)=O)c2o1
Show InChI InChI=1S/C14H18N2O2/c1-3-13-16-12-8-4-6-11(14(12)18-13)7-5-9-15-10(2)17/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17)
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9n/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))
BDBM50149161
PNG
(CHEMBL124445 | N-[3-(2-Isopropyl-benzooxazol-7-yl)...)
Show SMILES CCCC(=O)NCCCc1cccc2nc(oc12)C(C)C
Show InChI InChI=1S/C17H24N2O2/c1-4-7-15(20)18-11-6-9-13-8-5-10-14-16(13)21-17(19-14)12(2)3/h5,8,10,12H,4,6-7,9,11H2,1-3H3,(H,18,20)
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16n/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))
BDBM50149175
PNG
(CHEMBL124782 | N-[3-(2-Propyl-benzooxazol-7-yl)-pr...)
Show SMILES CCCC(=O)NCCCc1cccc2nc(CCC)oc12
Show InChI InChI=1S/C17H24N2O2/c1-3-7-15(20)18-12-6-10-13-9-5-11-14-17(13)21-16(19-14)8-4-2/h5,9,11H,3-4,6-8,10,12H2,1-2H3,(H,18,20)
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22n/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))
BDBM50149160
PNG
(CHEMBL333810 | N-[3-(2-Methyl-benzooxazol-7-yl)-pr...)
Show SMILES CC(=O)NCCCc1cccc2nc(C)oc12
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-8-4-6-11-5-3-7-12-13(11)17-10(2)15-12/h3,5,7H,4,6,8H2,1-2H3,(H,14,16)
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24n/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))
BDBM50149159
PNG
(CHEMBL124783 | N-[3-(2-Propyl-benzooxazol-7-yl)-pr...)
Show SMILES CCCc1nc2cccc(CCCNC(=O)CC)c2o1
Show InChI InChI=1S/C16H22N2O2/c1-3-7-15-18-13-10-5-8-12(16(13)20-15)9-6-11-17-14(19)4-2/h5,8,10H,3-4,6-7,9,11H2,1-2H3,(H,17,19)
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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 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))
BDBM50149171
PNG
(CHEMBL331636 | N-[3-(2-Propyl-benzooxazol-7-yl)-pr...)
Show SMILES CCCc1nc2cccc(CCCNC(=O)C(C)C)c2o1
Show InChI InChI=1S/C17H24N2O2/c1-4-7-15-19-14-10-5-8-13(16(14)21-15)9-6-11-18-17(20)12(2)3/h5,8,10,12H,4,6-7,9,11H2,1-3H3,(H,18,20)
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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 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))
BDBM50149172
PNG
(CHEMBL331317 | Cyclopropanecarboxylic acid [3-(2-i...)
Show SMILES CC(C)c1nc2cccc(CCCNC(=O)C3CC3)c2o1
Show InChI InChI=1S/C17H22N2O2/c1-11(2)17-19-14-7-3-5-12(15(14)21-17)6-4-10-18-16(20)13-8-9-13/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H,18,20)
PDB

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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 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))
BDBM50149166
PNG
(CHEMBL123690 | N-[3-(2-Isopropyl-benzooxazol-7-yl)...)
Show SMILES CC(C)c1nc2cccc(CCCNC(C)=O)c2o1
Show InChI InChI=1S/C15H20N2O2/c1-10(2)15-17-13-8-4-6-12(14(13)19-15)7-5-9-16-11(3)18/h4,6,8,10H,5,7,9H2,1-3H3,(H,16,18)
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35n/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))
BDBM50149163
PNG
(CHEMBL123899 | Cyclopropanecarboxylic acid [3-(2-p...)
Show SMILES CCCc1nc2cccc(CCCNC(=O)C3CC3)c2o1
Show InChI InChI=1S/C17H22N2O2/c1-2-5-15-19-14-8-3-6-12(16(14)21-15)7-4-11-18-17(20)13-9-10-13/h3,6,8,13H,2,4-5,7,9-11H2,1H3,(H,18,20)
PDB

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44n/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))
BDBM50149159
PNG
(CHEMBL124783 | N-[3-(2-Propyl-benzooxazol-7-yl)-pr...)
Show SMILES CCCc1nc2cccc(CCCNC(=O)CC)c2o1
Show InChI InChI=1S/C16H22N2O2/c1-3-7-15-18-13-10-5-8-12(16(13)20-15)9-6-11-17-14(19)4-2/h5,8,10H,3-4,6-7,9,11H2,1-2H3,(H,17,19)
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51n/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))
BDBM50149171
PNG
(CHEMBL331636 | N-[3-(2-Propyl-benzooxazol-7-yl)-pr...)
Show SMILES CCCc1nc2cccc(CCCNC(=O)C(C)C)c2o1
Show InChI InChI=1S/C17H24N2O2/c1-4-7-15-19-14-10-5-8-13(16(14)21-15)9-6-11-18-17(20)12(2)3/h5,8,10,12H,4,6-7,9,11H2,1-3H3,(H,18,20)
PDB

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60n/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))
BDBM50149172
PNG
(CHEMBL331317 | Cyclopropanecarboxylic acid [3-(2-i...)
Show SMILES CC(C)c1nc2cccc(CCCNC(=O)C3CC3)c2o1
Show InChI InChI=1S/C17H22N2O2/c1-11(2)17-19-14-7-3-5-12(15(14)21-17)6-4-10-18-16(20)13-8-9-13/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H,18,20)
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114n/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))
BDBM50149166
PNG
(CHEMBL123690 | N-[3-(2-Isopropyl-benzooxazol-7-yl)...)
Show SMILES CC(C)c1nc2cccc(CCCNC(C)=O)c2o1
Show InChI InChI=1S/C15H20N2O2/c1-10(2)15-17-13-8-4-6-12(14(13)19-15)7-5-9-16-11(3)18/h4,6,8,10H,5,7,9H2,1-3H3,(H,16,18)
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116n/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))
BDBM50149161
PNG
(CHEMBL124445 | N-[3-(2-Isopropyl-benzooxazol-7-yl)...)
Show SMILES CCCC(=O)NCCCc1cccc2nc(oc12)C(C)C
Show InChI InChI=1S/C17H24N2O2/c1-4-7-15(20)18-11-6-9-13-8-5-10-14-16(13)21-17(19-14)12(2)3/h5,8,10,12H,4,6-7,9,11H2,1-3H3,(H,18,20)
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119n/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))
BDBM50149175
PNG
(CHEMBL124782 | N-[3-(2-Propyl-benzooxazol-7-yl)-pr...)
Show SMILES CCCC(=O)NCCCc1cccc2nc(CCC)oc12
Show InChI InChI=1S/C17H24N2O2/c1-3-7-15(20)18-12-6-10-13-9-5-11-14-17(13)21-16(19-14)8-4-2/h5,9,11H,3-4,6-8,10,12H2,1-2H3,(H,18,20)
PDB

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166n/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