BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2253 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50408628
PNG
(CHEMBL139855)
Show SMILES COc1cnc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C18H19N3O2/c1-12(22)19-9-8-15-16-10-14(23-2)11-20-18(16)21-17(15)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,22)(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 0.0126n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114716
PNG
(CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...)
Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H21NO3/c1-14(22)21-11-10-17-18-13-16(23-2)8-9-19(18)24-20(17)12-15-6-4-3-5-7-15/h3-9,13H,10-12H2,1-2H3,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.0158n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103448
PNG
(US8552037, 95)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(CCCCc4ccccc4)oc3c12
Show InChI InChI=1S/C24H28N2O2/c1-17(27)25-16-15-20-12-11-19-13-14-21-24(23(19)20)28-22(26-21)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,13-14,20H,5-6,9-12,15-16H2,1H3,(H,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.0220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103446
PNG
(US8552037, 93)
Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.0300n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103450
PNG
(US8552037, 98)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(C)sc3c12
Show InChI InChI=1S/C15H18N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.0380n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103446
PNG
(US8552037, 93)
Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.0490n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103443
PNG
(US8552037, 90)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.0570n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103437
PNG
(US8552037, 82)
Show SMILES CC(=O)NCCC1=CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C15H16N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h4-6H,3,7-8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.0680n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103439
PNG
(US8552037, 84)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(CCCCc4ccccc4)oc3c12
Show InChI InChI=1S/C24H26N2O2/c1-17(27)25-16-15-20-12-11-19-13-14-21-24(23(19)20)28-22(26-21)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,13-15H,5-6,9-12,16H2,1H3,(H,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.0790n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103448
PNG
(US8552037, 95)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(CCCCc4ccccc4)oc3c12
Show InChI InChI=1S/C24H28N2O2/c1-17(27)25-16-15-20-12-11-19-13-14-21-24(23(19)20)28-22(26-21)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,13-14,20H,5-6,9-12,15-16H2,1H3,(H,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.0910n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103456
PNG
(US8552037, 123)
Show SMILES Cc1nc2ccc3CCC(CCNC(=O)C(F)(F)F)c3c2o1
Show InChI InChI=1S/C15H15F3N2O2/c1-8-20-11-5-4-9-2-3-10(12(9)13(11)22-8)6-7-19-14(21)15(16,17)18/h4-5,10H,2-3,6-7H2,1H3,(H,19,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.0950n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103450
PNG
(US8552037, 98)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(C)sc3c12
Show InChI InChI=1S/C15H18N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103443
PNG
(US8552037, 90)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103445
PNG
(US8552037, 92)
Show SMILES CCC(=O)NCCC1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103456
PNG
(US8552037, 123)
Show SMILES Cc1nc2ccc3CCC(CCNC(=O)C(F)(F)F)c3c2o1
Show InChI InChI=1S/C15H15F3N2O2/c1-8-20-11-5-4-9-2-3-10(12(9)13(11)22-8)6-7-19-14(21)15(16,17)18/h4-5,10H,2-3,6-7H2,1H3,(H,19,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.140n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103442
PNG
(US8552037, 89)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103449
PNG
(US8552037, 97)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(C)sc3c12
Show InChI InChI=1S/C15H18N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50286970
PNG
(CHEMBL11356 | N-[2-(3H-Benzo[f]chromen-10-yl)-ethy...)
Show SMILES CC(=O)NCCc1cccc2ccc3OCC=Cc3c12
Show InChI InChI=1S/C17H17NO2/c1-12(19)18-10-9-14-5-2-4-13-7-8-16-15(17(13)14)6-3-11-20-16/h2-8H,9-11H2,1H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 0.158n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103440
PNG
(US8552037, 86)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)sc3c12
Show InChI InChI=1S/C15H16N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-7H,3-4,8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.190n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to human MT1 receptor


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Université de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103440
PNG
(US8552037, 86)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)sc3c12
Show InChI InChI=1S/C15H16N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-7H,3-4,8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103438
PNG
(US8552037, 83)
Show SMILES CCC(=O)NCC=C1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C16H18N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-8H,3-5,9H2,1-2H3,(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103437
PNG
(US8552037, 82)
Show SMILES CC(=O)NCCC1=CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C15H16N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h4-6H,3,7-8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.240n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103438
PNG
(US8552037, 83)
Show SMILES CCC(=O)NCC=C1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C16H18N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-8H,3-5,9H2,1-2H3,(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.25n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103455
PNG
(US8552037, 121)
Show SMILES Cc1nc2ccc3CCC(CCNC(=O)C4CC4)c3c2o1
Show InChI InChI=1S/C17H20N2O2/c1-10-19-14-7-6-11-2-3-12(15(11)16(14)21-10)8-9-18-17(20)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.25n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50286973
PNG
(CHEMBL274358 | N-[2-(2,3-Dihydro-1H-benzo[f]chrome...)
Show SMILES CC(=O)NCCc1cccc2ccc3OCCCc3c12
Show InChI InChI=1S/C17H19NO2/c1-12(19)18-10-9-14-5-2-4-13-7-8-16-15(17(13)14)6-3-11-20-16/h2,4-5,7-8H,3,6,9-11H2,1H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 0.251n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103449
PNG
(US8552037, 97)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(C)sc3c12
Show InChI InChI=1S/C15H18N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.280n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103454
PNG
(US8552037, 116)
Show SMILES COc1nc2ccc3CCC(CCNC(C)=O)c3c2o1
Show InChI InChI=1S/C15H18N2O3/c1-9(18)16-8-7-11-4-3-10-5-6-12-14(13(10)11)20-15(17-12)19-2/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.280n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103445
PNG
(US8552037, 92)
Show SMILES CCC(=O)NCCC1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.280n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro receptor binding at MT2 (Melatonin) receptor.


Bioorg Med Chem Lett 13: 1199-202 (2003)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103442
PNG
(US8552037, 89)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.310n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103441
PNG
(US8552037, 87)
Show SMILES CC(=O)NCCC1CCc2ccc3ncoc3c12
Show InChI InChI=1S/C14H16N2O2/c1-9(17)15-7-6-11-3-2-10-4-5-12-14(13(10)11)18-8-16-12/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.310n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408640
PNG
(CHEMBL337764)
Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H21NO3/c1-15(24)23-11-10-18-13-19(22(25)16-6-4-3-5-7-16)12-17-8-9-20(26-2)14-21(17)18/h3-9,12-14H,10-11H2,1-2H3,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.316n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103436
PNG
(US8552037, 81)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C15H16N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-7H,3-4,8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.330n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103452
PNG
(US8552037, 100)
Show SMILES CCc1nc2ccc3CCC(CCNC(C)=O)c3c2o1
Show InChI InChI=1S/C16H20N2O2/c1-3-14-18-13-7-6-11-4-5-12(8-9-17-10(2)19)15(11)16(13)20-14/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.360n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103436
PNG
(US8552037, 81)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C15H16N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-7H,3-4,8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.370n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103452
PNG
(US8552037, 100)
Show SMILES CCc1nc2ccc3CCC(CCNC(C)=O)c3c2o1
Show InChI InChI=1S/C16H20N2O2/c1-3-14-18-13-7-6-11-4-5-12(8-9-17-10(2)19)15(11)16(13)20-14/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.410n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103439
PNG
(US8552037, 84)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(CCCCc4ccccc4)oc3c12
Show InChI InChI=1S/C24H26N2O2/c1-17(27)25-16-15-20-12-11-19-13-14-21-24(23(19)20)28-22(26-21)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,13-15H,5-6,9-12,16H2,1H3,(H,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.430n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
Article
PubMed
n/an/a 0.530n/an/an/an/an/an/a



Université de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
Article
PubMed
n/an/a 0.530n/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to human MT2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103454
PNG
(US8552037, 116)
Show SMILES COc1nc2ccc3CCC(CCNC(C)=O)c3c2o1
Show InChI InChI=1S/C15H18N2O3/c1-9(18)16-8-7-11-4-3-10-5-6-12-14(13(10)11)20-15(17-12)19-2/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.540n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Université de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro receptor binding at MT1 (Melatonin) receptor.


Bioorg Med Chem Lett 13: 1199-202 (2003)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103453
PNG
(US8552037, 107)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(oc3c12)C1CC1
Show InChI InChI=1S/C17H20N2O2/c1-10(20)18-9-8-12-3-2-11-6-7-14-16(15(11)12)21-17(19-14)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.660n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Université de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103453
PNG
(US8552037, 107)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(oc3c12)C1CC1
Show InChI InChI=1S/C17H20N2O2/c1-10(20)18-9-8-12-3-2-11-6-7-14-16(15(11)12)21-17(19-14)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.75n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103455
PNG
(US8552037, 121)
Show SMILES Cc1nc2ccc3CCC(CCNC(=O)C4CC4)c3c2o1
Show InChI InChI=1S/C17H20N2O2/c1-10-19-14-7-6-11-2-3-12(15(11)16(14)21-10)8-9-18-17(20)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.770n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408584
PNG
(CHEMBL137998)
Show SMILES CCOc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C16H19NO2/c1-3-19-15-8-7-13-5-4-6-14(16(13)11-15)9-10-17-12(2)18/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.794n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408555
PNG
(CHEMBL322762)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C13H13F3N2O2/c1-20-9-2-3-11-10(6-9)8(7-18-11)4-5-17-12(19)13(14,15)16/h2-3,6-7,18H,4-5H2,1H3,(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.794n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2253 total )  |  Next  |  Last  >>
Jump to: