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Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'lentini' and Initial = 'g'   
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
0.331n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
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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0.617n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416708
PNG
(CHEMBL1223130)
Show SMILES COc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
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0.724n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416708
PNG
(CHEMBL1223130)
Show SMILES COc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
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0.933n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416690
PNG
(CHEMBL1223050)
Show SMILES COc1cccc(O[C@@H](C)CNC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416704
PNG
(CHEMBL1223195)
Show SMILES CCCC(=O)NC[C@H](C)Oc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO3/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1
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2.75n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416704
PNG
(CHEMBL1223195)
Show SMILES CCCC(=O)NC[C@H](C)Oc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO3/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1
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3.09n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416690
PNG
(CHEMBL1223050)
Show SMILES COc1cccc(O[C@@H](C)CNC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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3.63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416704
PNG
(CHEMBL1223195)
Show SMILES CCCC(=O)NC[C@H](C)Oc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO3/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1
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3.72n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416702
PNG
(CHEMBL1223198)
Show SMILES CCCC(=O)NC[C@H](C)Sc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1
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3.89n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416704
PNG
(CHEMBL1223195)
Show SMILES CCCC(=O)NC[C@H](C)Oc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO3/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1
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4.17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416708
PNG
(CHEMBL1223130)
Show SMILES COc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
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4.37n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416690
PNG
(CHEMBL1223050)
Show SMILES COc1cccc(O[C@@H](C)CNC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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4.68n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416702
PNG
(CHEMBL1223198)
Show SMILES CCCC(=O)NC[C@H](C)Sc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1
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5.01n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416706
PNG
(CHEMBL1223192)
Show SMILES COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO2S/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
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5.37n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416688
PNG
(CHEMBL1223053)
Show SMILES COc1cccc(S[C@@H](C)CNC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO2S/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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5.75n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416702
PNG
(CHEMBL1223198)
Show SMILES CCCC(=O)NC[C@H](C)Sc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1
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6.03n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416706
PNG
(CHEMBL1223192)
Show SMILES COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO2S/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
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6.76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416688
PNG
(CHEMBL1223053)
Show SMILES COc1cccc(S[C@@H](C)CNC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO2S/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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7.08n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416709
PNG
(CHEMBL1223129)
Show SMILES COc1cccc(O[C@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m1/s1
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7.76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416706
PNG
(CHEMBL1223192)
Show SMILES COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO2S/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
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8.51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416702
PNG
(CHEMBL1223198)
Show SMILES CCCC(=O)NC[C@H](C)Sc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1
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9.12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416690
PNG
(CHEMBL1223050)
Show SMILES COc1cccc(O[C@@H](C)CNC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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9.55n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416706
PNG
(CHEMBL1223192)
Show SMILES COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO2S/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
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9.77n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416708
PNG
(CHEMBL1223130)
Show SMILES COc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
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12.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416709
PNG
(CHEMBL1223129)
Show SMILES COc1cccc(O[C@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m1/s1
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20.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416703
PNG
(CHEMBL1223197)
Show SMILES CCCC(=O)NC[C@@H](C)Sc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m1/s1
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26.3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416711
PNG
(CHEMBL1223124)
Show SMILES COc1cccc(SCCNC(C)=O)c1
Show InChI InChI=1S/C11H15NO2S/c1-9(13)12-6-7-15-11-5-3-4-10(8-11)14-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)
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39.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416684
PNG
(CHEMBL396132)
Show SMILES COc1cccc(OCCNC(C)=O)c1
Show InChI InChI=1S/C11H15NO3/c1-9(13)12-6-7-15-11-5-3-4-10(8-11)14-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)
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40.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416691
PNG
(CHEMBL1223049)
Show SMILES COc1cccc(O[C@H](C)CNC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m1/s1
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49.0n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416707
PNG
(CHEMBL1223191)
Show SMILES COc1cccc(S[C@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO2S/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m1/s1
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49.0n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416711
PNG
(CHEMBL1223124)
Show SMILES COc1cccc(SCCNC(C)=O)c1
Show InChI InChI=1S/C11H15NO2S/c1-9(13)12-6-7-15-11-5-3-4-10(8-11)14-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)
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55.0n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416705
PNG
(CHEMBL1223194)
Show SMILES CCCC(=O)NC[C@@H](C)Oc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO3/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m1/s1
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67.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416684
PNG
(CHEMBL396132)
Show SMILES COc1cccc(OCCNC(C)=O)c1
Show InChI InChI=1S/C11H15NO3/c1-9(13)12-6-7-15-11-5-3-4-10(8-11)14-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)
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67.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416703
PNG
(CHEMBL1223197)
Show SMILES CCCC(=O)NC[C@@H](C)Sc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m1/s1
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70.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416705
PNG
(CHEMBL1223194)
Show SMILES CCCC(=O)NC[C@@H](C)Oc1cccc(OC)c1 |r|
Show InChI InChI=1S/C14H21NO3/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m1/s1
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81.3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416691
PNG
(CHEMBL1223049)
Show SMILES COc1cccc(O[C@H](C)CNC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m1/s1
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110n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416688
PNG
(CHEMBL1223053)
Show SMILES COc1cccc(S[C@@H](C)CNC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO2S/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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110n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416707
PNG
(CHEMBL1223191)
Show SMILES COc1cccc(S[C@H](C)CNC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C14H19NO2S/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m1/s1
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120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416696
PNG
(CHEMBL1223281)
Show SMILES COc1cccc(SC[C@H](C)NC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO2S/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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263n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416688
PNG
(CHEMBL1223053)
Show SMILES COc1cccc(S[C@@H](C)CNC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO2S/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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263n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416698
PNG
(CHEMBL1223278)
Show SMILES COc1cccc(OC[C@H](C)NC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO3/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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302n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416683
PNG
(CHEMBL1223125)
Show SMILES CC(=O)NCCSc1ccccc1
Show InChI InChI=1S/C10H13NOS/c1-9(12)11-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
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339n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416698
PNG
(CHEMBL1223278)
Show SMILES COc1cccc(OC[C@H](C)NC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO3/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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347n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416698
PNG
(CHEMBL1223278)
Show SMILES COc1cccc(OC[C@H](C)NC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO3/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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347n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416698
PNG
(CHEMBL1223278)
Show SMILES COc1cccc(OC[C@H](C)NC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO3/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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355n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416696
PNG
(CHEMBL1223281)
Show SMILES COc1cccc(SC[C@H](C)NC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO2S/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
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479n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416710
PNG
(CHEMBL1223127)
Show SMILES COc1ccccc1SCCNC(C)=O
Show InChI InChI=1S/C11H15NO2S/c1-9(13)12-7-8-15-11-6-4-3-5-10(11)14-2/h3-6H,7-8H2,1-2H3,(H,12,13)
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501n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416689
PNG
(CHEMBL1223052)
Show SMILES COc1cccc(S[C@H](C)CNC(C)=O)c1 |r|
Show InChI InChI=1S/C12H17NO2S/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m1/s1
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661n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416692
PNG
(CHEMBL1222985)
Show SMILES CC(CNC(C)=O)Oc1ccccc1
Show InChI InChI=1S/C11H15NO2/c1-9(8-12-10(2)13)14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)
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1.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
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