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PubMed code 17481904

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melatonin receptor type 1A


(Homo sapiens (Human))		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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PubMed
 0.200n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(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



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50212044
PNG
(CHEMBL390944 | pentyl 3-(2-acetamidoethyl)-5-metho...)
Show SMILES CCCCCOC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(C)=O
Show InChI InChI=1S/C19H26N2O4/c1-4-5-6-11-25-19(23)18-15(9-10-20-13(2)22)16-12-14(24-3)7-8-17(16)21-18/h7-8,12,21H,4-6,9-11H2,1-3H3,(H,20,22)
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 4.80n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50212052
PNG
(9-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C37H48N4O8/c1-24(42)38-18-16-28-30-22-26(46-3)12-14-32(30)40-34(28)36(44)48-20-10-8-6-5-7-9-11-21-49-37(45)35-29(17-19-39-25(2)43)31-23-27(47-4)13-15-33(31)41-35/h12-15,22-23,40-41H,5-11,16-21H2,1-4H3,(H,38,42)(H,39,43)
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PubMed
 7.75n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50212045
PNG
(8-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C36H46N4O8/c1-23(41)37-17-15-27-29-21-25(45-3)11-13-31(29)39-33(27)35(43)47-19-9-7-5-6-8-10-20-48-36(44)34-28(16-18-38-24(2)42)30-22-26(46-4)12-14-32(30)40-34/h11-14,21-22,39-40H,5-10,15-20H2,1-4H3,(H,37,41)(H,38,42)
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PubMed
 7.91n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50212045
PNG
(8-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C36H46N4O8/c1-23(41)37-17-15-27-29-21-25(45-3)11-13-31(29)39-33(27)35(43)47-19-9-7-5-6-8-10-20-48-36(44)34-28(16-18-38-24(2)42)30-22-26(46-4)12-14-32(30)40-34/h11-14,21-22,39-40H,5-10,15-20H2,1-4H3,(H,37,41)(H,38,42)
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PubMed
 7.92n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50212053
PNG
(3-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C31H36N4O8/c1-18(36)32-12-10-22-24-16-20(40-3)6-8-26(24)34-28(22)30(38)42-14-5-15-43-31(39)29-23(11-13-33-19(2)37)25-17-21(41-4)7-9-27(25)35-29/h6-9,16-17,34-35H,5,10-15H2,1-4H3,(H,32,36)(H,33,37)
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 9.5n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50212053
PNG
(3-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C31H36N4O8/c1-18(36)32-12-10-22-24-16-20(40-3)6-8-26(24)34-28(22)30(38)42-14-5-15-43-31(39)29-23(11-13-33-19(2)37)25-17-21(41-4)7-9-27(25)35-29/h6-9,16-17,34-35H,5,10-15H2,1-4H3,(H,32,36)(H,33,37)
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 14.3n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50212050
PNG
(10-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-car...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C38H50N4O8/c1-25(43)39-19-17-29-31-23-27(47-3)13-15-33(31)41-35(29)37(45)49-21-11-9-7-5-6-8-10-12-22-50-38(46)36-30(18-20-40-26(2)44)32-24-28(48-4)14-16-34(32)42-36/h13-16,23-24,41-42H,5-12,17-22H2,1-4H3,(H,39,43)(H,40,44)
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 15.4n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50212047
PNG
(9-(benzoyloxy)nonyl 3-(2-acetamidoethyl)-5-methoxy...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C30H38N2O6/c1-22(33)31-18-17-25-26-21-24(36-2)15-16-27(26)32-28(25)30(35)38-20-12-7-5-3-4-6-11-19-37-29(34)23-13-9-8-10-14-23/h8-10,13-16,21,32H,3-7,11-12,17-20H2,1-2H3,(H,31,33)
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 20n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50212046
PNG
(5-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C33H40N4O8/c1-20(38)34-14-12-24-26-18-22(42-3)8-10-28(26)36-30(24)32(40)44-16-6-5-7-17-45-33(41)31-25(13-15-35-21(2)39)27-19-23(43-4)9-11-29(27)37-31/h8-11,18-19,36-37H,5-7,12-17H2,1-4H3,(H,34,38)(H,35,39)
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 20.1n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50212050
PNG
(10-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-car...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C38H50N4O8/c1-25(43)39-19-17-29-31-23-27(47-3)13-15-33(31)41-35(29)37(45)49-21-11-9-7-5-6-8-10-12-22-50-38(46)36-30(18-20-40-26(2)44)32-24-28(48-4)14-16-34(32)42-36/h13-16,23-24,41-42H,5-12,17-22H2,1-4H3,(H,39,43)(H,40,44)
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 24.2n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50212051
PNG
(12-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-car...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C40H54N4O8/c1-27(45)41-21-19-31-33-25-29(49-3)15-17-35(33)43-37(31)39(47)51-23-13-11-9-7-5-6-8-10-12-14-24-52-40(48)38-32(20-22-42-28(2)46)34-26-30(50-4)16-18-36(34)44-38/h15-18,25-26,43-44H,5-14,19-24H2,1-4H3,(H,41,45)(H,42,46)
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 25.4n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50212051
PNG
(12-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-car...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C40H54N4O8/c1-27(45)41-21-19-31-33-25-29(49-3)15-17-35(33)43-37(31)39(47)51-23-13-11-9-7-5-6-8-10-12-14-24-52-40(48)38-32(20-22-42-28(2)46)34-26-30(50-4)16-18-36(34)44-38/h15-18,25-26,43-44H,5-14,19-24H2,1-4H3,(H,41,45)(H,42,46)
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 44.0n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50212052
PNG
(9-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C37H48N4O8/c1-24(42)38-18-16-28-30-22-26(46-3)12-14-32(30)40-34(28)36(44)48-20-10-8-6-5-7-9-11-21-49-37(45)35-29(17-19-39-25(2)43)31-23-27(47-4)13-15-33(31)41-35/h12-15,22-23,40-41H,5-11,16-21H2,1-4H3,(H,38,42)(H,39,43)
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 59.8n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50212046
PNG
(5-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C33H40N4O8/c1-20(38)34-14-12-24-26-18-22(42-3)8-10-28(26)36-30(24)32(40)44-16-6-5-7-17-45-33(41)31-25(13-15-35-21(2)39)27-19-23(43-4)9-11-29(27)37-31/h8-11,18-19,36-37H,5-7,12-17H2,1-4H3,(H,34,38)(H,35,39)
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 62.4n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50212054
PNG
(7-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C35H44N4O8/c1-22(40)36-16-14-26-28-20-24(44-3)10-12-30(28)38-32(26)34(42)46-18-8-6-5-7-9-19-47-35(43)33-27(15-17-37-23(2)41)29-21-25(45-4)11-13-31(29)39-33/h10-13,20-21,38-39H,5-9,14-19H2,1-4H3,(H,36,40)(H,37,41)
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 65.0n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50212044
PNG
(CHEMBL390944 | pentyl 3-(2-acetamidoethyl)-5-metho...)
Show SMILES CCCCCOC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(C)=O
Show InChI InChI=1S/C19H26N2O4/c1-4-5-6-11-25-19(23)18-15(9-10-20-13(2)22)16-12-14(24-3)7-8-17(16)21-18/h7-8,12,21H,4-6,9-11H2,1-3H3,(H,20,22)
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 70.1n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50212047
PNG
(9-(benzoyloxy)nonyl 3-(2-acetamidoethyl)-5-methoxy...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C30H38N2O6/c1-22(33)31-18-17-25-26-21-24(36-2)15-16-27(26)32-28(25)30(35)38-20-12-7-5-3-4-6-11-19-37-29(34)23-13-9-8-10-14-23/h8-10,13-16,21,32H,3-7,11-12,17-20H2,1-2H3,(H,31,33)
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 83n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50212054
PNG
(7-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...)
Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C35H44N4O8/c1-22(40)36-16-14-26-28-20-24(44-3)10-12-30(28)38-32(26)34(42)46-18-8-6-5-7-9-19-47-35(43)33-27(15-17-37-23(2)41)29-21-25(45-4)11-13-31(29)39-33/h10-13,20-21,38-39H,5-9,14-19H2,1-4H3,(H,36,40)(H,37,41)
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 215n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50212048
PNG
(CHEMBL388591 | N1,N10-bis(2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCCCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C32H42N4O4/c1-39-25-11-13-29-27(19-25)23(21-35-29)15-17-33-31(37)9-7-5-3-4-6-8-10-32(38)34-18-16-24-22-36-30-14-12-26(40-2)20-28(24)30/h11-14,19-22,35-36H,3-10,15-18H2,1-2H3,(H,33,37)(H,34,38)
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 387n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50212048
PNG
(CHEMBL388591 | N1,N10-bis(2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCCCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C32H42N4O4/c1-39-25-11-13-29-27(19-25)23(21-35-29)15-17-33-31(37)9-7-5-3-4-6-8-10-32(38)34-18-16-24-22-36-30-14-12-26(40-2)20-28(24)30/h11-14,19-22,35-36H,3-10,15-18H2,1-2H3,(H,33,37)(H,34,38)
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 573n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50212049
PNG
(CHEMBL225302 | N1,N7-bis(2-(5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C29H36N4O4/c1-36-22-8-10-26-24(16-22)20(18-32-26)12-14-30-28(34)6-4-3-5-7-29(35)31-15-13-21-19-33-27-11-9-23(37-2)17-25(21)27/h8-11,16-19,32-33H,3-7,12-15H2,1-2H3,(H,30,34)(H,31,35)
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 6.47E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50212049
PNG
(CHEMBL225302 | N1,N7-bis(2-(5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C29H36N4O4/c1-36-22-8-10-26-24(16-22)20(18-32-26)12-14-30-28(34)6-4-3-5-7-29(35)31-15-13-21-19-33-27-11-9-23(37-2)17-25(21)27/h8-11,16-19,32-33H,3-7,12-15H2,1-2H3,(H,30,34)(H,31,35)
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 7.29E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells

Bioorg Med Chem 15: 4643-50 (2007)


Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%