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PubMed code 26785296

Compile data set for download or QSAR
Found 32 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 1B


(Homo sapiens (Human))		BDBM50139844
PNG
(CHEMBL3763503)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O3/c1-11(22)20-10-9-14-17-15(7-8-16(21-17)23-2)24-18(14)12-3-5-13(19)6-4-12/h3-8H,9-10H2,1-2H3,(H,20,22)
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PubMed
 0.0300n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50139843
PNG
(CHEMBL3765540)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c1-12(21)19-11-10-14-17-15(8-9-16(20-17)22-2)23-18(14)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,19,21)
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 0.0400n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50139842
PNG
(CHEMBL3765401)
Show SMILES COc1ccc2oc(I)c(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H13IN2O3/c1-7(16)14-6-5-8-11-9(18-12(8)13)3-4-10(15-11)17-2/h3-4H,5-6H2,1-2H3,(H,14,16)
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 0.0800n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50139847
PNG
(CHEMBL3764765)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2O3/c1-14(25)23-12-11-18-21-19(9-10-20(24-21)26-2)27-22(18)17-8-7-15-5-3-4-6-16(15)13-17/h3-10,13H,11-12H2,1-2H3,(H,23,25)
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 0.0900n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50139843
PNG
(CHEMBL3765540)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c1-12(21)19-11-10-14-17-15(8-9-16(20-17)22-2)23-18(14)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,19,21)
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 0.140n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50037242
PNG
(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
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 0.150n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50139844
PNG
(CHEMBL3763503)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O3/c1-11(22)20-10-9-14-17-15(7-8-16(21-17)23-2)24-18(14)12-3-5-13(19)6-4-12/h3-8H,9-10H2,1-2H3,(H,20,22)
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 0.200n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50139842
PNG
(CHEMBL3765401)
Show SMILES COc1ccc2oc(I)c(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H13IN2O3/c1-7(16)14-6-5-8-11-9(18-12(8)13)3-4-10(15-11)17-2/h3-4H,5-6H2,1-2H3,(H,14,16)
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 0.200n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50340329
PNG
(4-azamelatonin | CHEMBL1760944)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16)
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 0.240n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
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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 0.25n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
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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 0.340n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50037242
PNG
(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
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 0.340n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50340329
PNG
(4-azamelatonin | CHEMBL1760944)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16)
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 0.360n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50139841
PNG
(CHEMBL3763281)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H14N2O3/c1-8(15)13-6-5-9-7-17-10-3-4-11(16-2)14-12(9)10/h3-4,7H,5-6H2,1-2H3,(H,13,15)
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 1.20n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50139846
PNG
(CHEMBL3764879)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cccc2ccccc12
Show InChI InChI=1S/C22H20N2O3/c1-14(25)23-13-12-18-21-19(10-11-20(24-21)26-2)27-22(18)17-9-5-7-15-6-3-4-8-16(15)17/h3-11H,12-13H2,1-2H3,(H,23,25)
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 1.30n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50139841
PNG
(CHEMBL3763281)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H14N2O3/c1-8(15)13-6-5-9-7-17-10-3-4-11(16-2)14-12(9)10/h3-4,7H,5-6H2,1-2H3,(H,13,15)
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 1.60n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50426657
PNG
(CHEMBL2326199)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1
Show InChI InChI=1S/C21H27NO4/c1-4-21(23)22-12-6-8-17-14-19(25-3)10-11-20(17)26-15-16-7-5-9-18(13-16)24-2/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3,(H,22,23)
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 1.70n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50139847
PNG
(CHEMBL3764765)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2O3/c1-14(25)23-12-11-18-21-19(9-10-20(24-21)26-2)27-22(18)17-8-7-15-5-3-4-6-16(15)13-17/h3-10,13H,11-12H2,1-2H3,(H,23,25)
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 2.20n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50139848
PNG
(CHEMBL3764063)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1c2ccccc2cc2ccccc12 |(-2.67,9.48,;-1.44,9.46,;-.7,8.11,;.84,8.08,;1.6,6.72,;.79,5.41,;1.24,3.94,;0,3.08,;-1.23,3.98,;-2.7,3.51,;-3.84,4.54,;-5.31,4.07,;-6.45,5.11,;-6.19,6.31,;-7.62,4.73,;-.74,5.43,;-1.5,6.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)|
Show InChI InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-22(11-12-23(28-25)30-2)31-26(21)24-19-9-5-3-7-17(19)15-18-8-4-6-10-20(18)24/h3-12,15H,13-14H2,1-2H3,(H,27,29)
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 5n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50139849
PNG
(CHEMBL3763537)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-23(11-12-24(28-25)30-2)31-26(21)22-15-17-7-3-4-8-18(17)19-9-5-6-10-20(19)22/h3-12,15H,13-14H2,1-2H3,(H,27,29)
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 5n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50139845
PNG
(CHEMBL3764421)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1c(C)cccc1C |(-3.72,-2.76,;-3.72,-1.53,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.57,-3.86,;6.13,-5.95,;.3,-.77,;-1.03,-1.55,;4.2,.03,;4.87,-1.36,;4.18,-2.38,;6.41,-1.46,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.51,2.41,)|
Show InChI InChI=1S/C20H22N2O3/c1-12-6-5-7-13(2)18(12)20-15(10-11-21-14(3)23)19-16(25-20)8-9-17(22-19)24-4/h5-9H,10-11H2,1-4H3,(H,21,23)
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 9n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50139839
PNG
(CHEMBL3765249)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cn1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-11-7-15-12(17-2)5-10(9)11/h5-7,14H,3-4H2,1-2H3,(H,13,16)
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 9.5n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50139848
PNG
(CHEMBL3764063)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1c2ccccc2cc2ccccc12 |(-2.67,9.48,;-1.44,9.46,;-.7,8.11,;.84,8.08,;1.6,6.72,;.79,5.41,;1.24,3.94,;0,3.08,;-1.23,3.98,;-2.7,3.51,;-3.84,4.54,;-5.31,4.07,;-6.45,5.11,;-6.19,6.31,;-7.62,4.73,;-.74,5.43,;-1.5,6.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)|
Show InChI InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-22(11-12-23(28-25)30-2)31-26(21)24-19-9-5-3-7-17(19)15-18-8-4-6-10-20(18)24/h3-12,15H,13-14H2,1-2H3,(H,27,29)
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 31n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50139839
PNG
(CHEMBL3765249)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cn1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-11-7-15-12(17-2)5-10(9)11/h5-7,14H,3-4H2,1-2H3,(H,13,16)
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 35n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50340330
PNG
(7-azamelatonin | CHEMBL137969 | N-[2-(5-Methoxy-1H...)
Show SMILES COc1cnc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-12-11(9)5-10(17-2)7-15-12/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15)
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 40n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50139840
PNG
(CHEMBL3763247)
Show SMILES COc1cc2c(CCNC(C)=O)coc2cn1
Show InChI InChI=1S/C12H14N2O3/c1-8(15)13-4-3-9-7-17-11-6-14-12(16-2)5-10(9)11/h5-7H,3-4H2,1-2H3,(H,13,15)
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 59n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50139849
PNG
(CHEMBL3763537)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-23(11-12-24(28-25)30-2)31-26(21)22-15-17-7-3-4-8-18(17)19-9-5-6-10-20(19)22/h3-12,15H,13-14H2,1-2H3,(H,27,29)
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 68n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50139840
PNG
(CHEMBL3763247)
Show SMILES COc1cc2c(CCNC(C)=O)coc2cn1
Show InChI InChI=1S/C12H14N2O3/c1-8(15)13-4-3-9-7-17-11-6-14-12(16-2)5-10(9)11/h5-7H,3-4H2,1-2H3,(H,13,15)
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 73n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50340330
PNG
(7-azamelatonin | CHEMBL137969 | N-[2-(5-Methoxy-1H...)
Show SMILES COc1cnc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-12-11(9)5-10(17-2)7-15-12/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15)
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 117n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50139845
PNG
(CHEMBL3764421)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1c(C)cccc1C |(-3.72,-2.76,;-3.72,-1.53,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.57,-3.86,;6.13,-5.95,;.3,-.77,;-1.03,-1.55,;4.2,.03,;4.87,-1.36,;4.18,-2.38,;6.41,-1.46,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.51,2.41,)|
Show InChI InChI=1S/C20H22N2O3/c1-12-6-5-7-13(2)18(12)20-15(10-11-21-14(3)23)19-16(25-20)8-9-17(22-19)24-4/h5-9H,10-11H2,1-4H3,(H,21,23)
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 120n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50139846
PNG
(CHEMBL3764879)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cccc2ccccc12
Show InChI InChI=1S/C22H20N2O3/c1-14(25)23-13-12-18-21-19(10-11-20(24-21)26-2)27-22(18)17-9-5-7-15-6-3-4-8-16(15)17/h3-11H,12-13H2,1-2H3,(H,23,25)
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 198n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50426657
PNG
(CHEMBL2326199)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1
Show InChI InChI=1S/C21H27NO4/c1-4-21(23)22-12-6-8-17-14-19(25-3)10-11-20(17)26-15-16-7-5-9-18(13-16)24-2/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3,(H,22,23)
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 1.35E+3n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay

Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%