BindingDB logo
myBDB logout

PubMed code 25232966

Compile data set for download or QSAR
Found 52 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
Article
PubMed
 0.140n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
Article
PubMed
 0.410n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027454
PNG
(CHEMBL3329390)
Show SMILES CCNC(=O)N1CCCC2Cc3cc(Cl)c(OC)cc3C12
Show InChI InChI=1S/C16H21ClN2O2/c1-3-18-16(20)19-6-4-5-10-7-11-8-13(17)14(21-2)9-12(11)15(10)19/h8-10,15H,3-7H2,1-2H3,(H,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 190n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027437
PNG
(CHEMBL3329377)
Show SMILES CCN(CC)C(=O)CN1CCCC2Cc3cc4OCOc4cc3C12
Show InChI InChI=1S/C19H26N2O3/c1-3-20(4-2)18(22)11-21-7-5-6-13-8-14-9-16-17(24-12-23-16)10-15(14)19(13)21/h9-10,13,19H,3-8,11-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 380n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027436
PNG
(CHEMBL3329376)
Show SMILES O=C(CN1CCCC2Cc3cc4OCOc4cc3C12)Nc1ccccc1
Show InChI InChI=1S/C21H22N2O3/c24-20(22-16-6-2-1-3-7-16)12-23-8-4-5-14-9-15-10-18-19(26-13-25-18)11-17(15)21(14)23/h1-3,6-7,10-11,14,21H,4-5,8-9,12-13H2,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 500n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027454
PNG
(CHEMBL3329390)
Show SMILES CCNC(=O)N1CCCC2Cc3cc(Cl)c(OC)cc3C12
Show InChI InChI=1S/C16H21ClN2O2/c1-3-18-16(20)19-6-4-5-10-7-11-8-13(17)14(21-2)9-12(11)15(10)19/h8-10,15H,3-7H2,1-2H3,(H,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 670n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027445
PNG
(CHEMBL3329385)
Show SMILES COc1cc2C3NCCCC3Cc2cc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-16-12-7-10-9(6-11(12)14)5-8-3-2-4-15-13(8)10/h6-8,13,15H,2-5H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027444
PNG
(CHEMBL3329384)
Show SMILES CCOC(=O)CCC(=O)N1CCCC2Cc3ccc(OC)cc3C12
Show InChI InChI=1S/C19H25NO4/c1-3-24-18(22)9-8-17(21)20-10-4-5-14-11-13-6-7-15(23-2)12-16(13)19(14)20/h6-7,12,14,19H,3-5,8-11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027381
PNG
(CHEMBL3329373)
Show SMILES C1Oc2cc3CC4CCCNC4c3cc2O1
Show InChI InChI=1S/C13H15NO2/c1-2-8-4-9-5-11-12(16-7-15-11)6-10(9)13(8)14-3-1/h5-6,8,13-14H,1-4,7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027382
PNG
(CHEMBL3329372)
Show SMILES COc1cc2CC3CCCN(C3c2cc1OC)C(=S)Nc1ccc(F)c(F)c1F
Show InChI InChI=1S/C21H21F3N2O2S/c1-27-16-9-12-8-11-4-3-7-26(20(11)13(12)10-17(16)28-2)21(29)25-15-6-5-14(22)18(23)19(15)24/h5-6,9-11,20H,3-4,7-8H2,1-2H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027381
PNG
(CHEMBL3329373)
Show SMILES C1Oc2cc3CC4CCCNC4c3cc2O1
Show InChI InChI=1S/C13H15NO2/c1-2-8-4-9-5-11-12(16-7-15-11)6-10(9)13(8)14-3-1/h5-6,8,13-14H,1-4,7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027439
PNG
(CHEMBL3329379)
Show SMILES COc1ccc2CC3CCCNC3c2c1
Show InChI InChI=1S/C13H17NO/c1-15-11-5-4-9-7-10-3-2-6-14-13(10)12(9)8-11/h4-5,8,10,13-14H,2-3,6-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027452
PNG
(CHEMBL3329388)
Show SMILES CN1CCCC2Cc3cc(Cl)c(O)cc3C12
Show InChI InChI=1S/C13H16ClNO/c1-15-4-2-3-8-5-9-6-11(14)12(16)7-10(9)13(8)15/h6-8,13,16H,2-5H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027439
PNG
(CHEMBL3329379)
Show SMILES COc1ccc2CC3CCCNC3c2c1
Show InChI InChI=1S/C13H17NO/c1-15-11-5-4-9-7-10-3-2-6-14-13(10)12(9)8-11/h4-5,8,10,13-14H,2-3,6-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027437
PNG
(CHEMBL3329377)
Show SMILES CCN(CC)C(=O)CN1CCCC2Cc3cc4OCOc4cc3C12
Show InChI InChI=1S/C19H26N2O3/c1-3-20(4-2)18(22)11-21-7-5-6-13-8-14-9-16-17(24-12-23-16)10-15(14)19(13)21/h9-10,13,19H,3-8,11-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027382
PNG
(CHEMBL3329372)
Show SMILES COc1cc2CC3CCCN(C3c2cc1OC)C(=S)Nc1ccc(F)c(F)c1F
Show InChI InChI=1S/C21H21F3N2O2S/c1-27-16-9-12-8-11-4-3-7-26(20(11)13(12)10-17(16)28-2)21(29)25-15-6-5-14(22)18(23)19(15)24/h5-6,9-11,20H,3-4,7-8H2,1-2H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027386
PNG
(CHEMBL3329368)
Show SMILES Oc1cc2CC3CCCNC3c2cc1O
Show InChI InChI=1S/C12H15NO2/c14-10-5-8-4-7-2-1-3-13-12(7)9(8)6-11(10)15/h5-7,12-15H,1-4H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027384
PNG
(CHEMBL3329370)
Show SMILES COc1cc2CC3CCCN(C3c2cc1OC)C(C)=O
Show InChI InChI=1S/C16H21NO3/c1-10(18)17-6-4-5-11-7-12-8-14(19-2)15(20-3)9-13(12)16(11)17/h8-9,11,16H,4-7H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027386
PNG
(CHEMBL3329368)
Show SMILES Oc1cc2CC3CCCNC3c2cc1O
Show InChI InChI=1S/C12H15NO2/c14-10-5-8-4-7-2-1-3-13-12(7)9(8)6-11(10)15/h5-7,12-15H,1-4H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027440
PNG
(CHEMBL3329380)
Show SMILES COc1ccc2CC3CCCN(C)C3c2c1
Show InChI InChI=1S/C14H19NO/c1-15-7-3-4-11-8-10-5-6-12(16-2)9-13(10)14(11)15/h5-6,9,11,14H,3-4,7-8H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027444
PNG
(CHEMBL3329384)
Show SMILES CCOC(=O)CCC(=O)N1CCCC2Cc3ccc(OC)cc3C12
Show InChI InChI=1S/C19H25NO4/c1-3-24-18(22)9-8-17(21)20-10-4-5-14-11-13-6-7-15(23-2)12-16(13)19(14)20/h6-7,12,14,19H,3-5,8-11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027441
PNG
(CHEMBL3329381)
Show SMILES Oc1ccc2CC3CCCNC3c2c1
Show InChI InChI=1S/C12H15NO/c14-10-4-3-8-6-9-2-1-5-13-12(9)11(8)7-10/h3-4,7,9,12-14H,1-2,5-6H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027438
PNG
(CHEMBL3329378)
Show SMILES O=C(CN1CCCC2Cc3cc4OCOc4cc3C12)N1CCCCC1
Show InChI InChI=1S/C20H26N2O3/c23-19(21-6-2-1-3-7-21)12-22-8-4-5-14-9-15-10-17-18(25-13-24-17)11-16(15)20(14)22/h10-11,14,20H,1-9,12-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027380
PNG
(CHEMBL3329374)
Show SMILES CN1CCCC2Cc3cc4OCOc4cc3C12
Show InChI InChI=1S/C14H17NO2/c1-15-4-2-3-9-5-10-6-12-13(17-8-16-12)7-11(10)14(9)15/h6-7,9,14H,2-5,8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027384
PNG
(CHEMBL3329370)
Show SMILES COc1cc2CC3CCCN(C3c2cc1OC)C(C)=O
Show InChI InChI=1S/C16H21NO3/c1-10(18)17-6-4-5-11-7-12-8-14(19-2)15(20-3)9-13(12)16(11)17/h8-9,11,16H,4-7H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027442
PNG
(CHEMBL3329382)
Show SMILES CN1CCCC2Cc3ccc(O)cc3C12
Show InChI InChI=1S/C13H17NO/c1-14-6-2-3-10-7-9-4-5-11(15)8-12(9)13(10)14/h4-5,8,10,13,15H,2-3,6-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027449
PNG
(CHEMBL3329386)
Show SMILES COc1cc2C3C(Cc2cc1Cl)CCCN3C
Show InChI InChI=1S/C14H18ClNO/c1-16-5-3-4-9-6-10-7-12(15)13(17-2)8-11(10)14(9)16/h7-9,14H,3-6H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027443
PNG
(CHEMBL3329383)
Show SMILES COc1ccc2CC3CCCN(C3c2c1)C(C)=O
Show InChI InChI=1S/C15H19NO2/c1-10(17)16-7-3-4-12-8-11-5-6-13(18-2)9-14(11)15(12)16/h5-6,9,12,15H,3-4,7-8H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027442
PNG
(CHEMBL3329382)
Show SMILES CN1CCCC2Cc3ccc(O)cc3C12
Show InChI InChI=1S/C13H17NO/c1-14-6-2-3-10-7-9-4-5-11(15)8-12(9)13(10)14/h4-5,8,10,13,15H,2-3,6-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027383
PNG
(CHEMBL3329371)
Show SMILES COc1cc2CC3CCCN(C3c2cc1OC)C(=S)NCCN1CCCCC1
Show InChI InChI=1S/C22H33N3O2S/c1-26-19-14-17-13-16-7-6-11-25(21(16)18(17)15-20(19)27-2)22(28)23-8-12-24-9-4-3-5-10-24/h14-16,21H,3-13H2,1-2H3,(H,23,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027441
PNG
(CHEMBL3329381)
Show SMILES Oc1ccc2CC3CCCNC3c2c1
Show InChI InChI=1S/C12H15NO/c14-10-4-3-8-6-9-2-1-5-13-12(9)11(8)7-10/h3-4,7,9,12-14H,1-2,5-6H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027453
PNG
(CHEMBL3329389)
Show SMILES COc1cc2C3C(Cc2cc1Cl)CCCN3C(C)=O
Show InChI InChI=1S/C15H18ClNO2/c1-9(18)17-5-3-4-10-6-11-7-13(16)14(19-2)8-12(11)15(10)17/h7-8,10,15H,3-6H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027434
PNG
(CHEMBL3329367)
Show SMILES COc1cc2CC3CCCN(C)C3c2cc1OC
Show InChI InChI=1S/C15H21NO2/c1-16-6-4-5-10-7-11-8-13(17-2)14(18-3)9-12(11)15(10)16/h8-10,15H,4-7H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027383
PNG
(CHEMBL3329371)
Show SMILES COc1cc2CC3CCCN(C3c2cc1OC)C(=S)NCCN1CCCCC1
Show InChI InChI=1S/C22H33N3O2S/c1-26-19-14-17-13-16-7-6-11-25(21(16)18(17)15-20(19)27-2)22(28)23-8-12-24-9-4-3-5-10-24/h14-16,21H,3-13H2,1-2H3,(H,23,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027445
PNG
(CHEMBL3329385)
Show SMILES COc1cc2C3NCCCC3Cc2cc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-16-12-7-10-9(6-11(12)14)5-8-3-2-4-15-13(8)10/h6-8,13,15H,2-5H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027435
PNG
(CHEMBL3329375)
Show SMILES Fc1ccc(NC(=O)N2CCCC3Cc4cc5OCOc5cc4C23)cc1
Show InChI InChI=1S/C20H19FN2O3/c21-14-3-5-15(6-4-14)22-20(24)23-7-1-2-12-8-13-9-17-18(26-11-25-17)10-16(13)19(12)23/h3-6,9-10,12,19H,1-2,7-8,11H2,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027385
PNG
(CHEMBL3329369)
Show SMILES CN1CCCC2Cc3cc(O)c(O)cc3C12
Show InChI InChI=1S/C13H17NO2/c1-14-4-2-3-8-5-9-6-11(15)12(16)7-10(9)13(8)14/h6-8,13,15-16H,2-5H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027387
PNG
(CHEMBL3329366)
Show SMILES COc1cc2CC3CCCNC3c2cc1OC
Show InChI InChI=1S/C14H19NO2/c1-16-12-7-10-6-9-4-3-5-15-14(9)11(10)8-13(12)17-2/h7-9,14-15H,3-6H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027434
PNG
(CHEMBL3329367)
Show SMILES COc1cc2CC3CCCN(C)C3c2cc1OC
Show InChI InChI=1S/C15H21NO2/c1-16-6-4-5-10-7-11-8-13(17-2)14(18-3)9-12(11)15(10)16/h8-10,15H,4-7H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027385
PNG
(CHEMBL3329369)
Show SMILES CN1CCCC2Cc3cc(O)c(O)cc3C12
Show InChI InChI=1S/C13H17NO2/c1-14-4-2-3-8-5-9-6-11(15)12(16)7-10(9)13(8)14/h6-8,13,15-16H,2-5H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027435
PNG
(CHEMBL3329375)
Show SMILES Fc1ccc(NC(=O)N2CCCC3Cc4cc5OCOc5cc4C23)cc1
Show InChI InChI=1S/C20H19FN2O3/c21-14-3-5-15(6-4-14)22-20(24)23-7-1-2-12-8-13-9-17-18(26-11-25-17)10-16(13)19(12)23/h3-6,9-10,12,19H,1-2,7-8,11H2,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027436
PNG
(CHEMBL3329376)
Show SMILES O=C(CN1CCCC2Cc3cc4OCOc4cc3C12)Nc1ccccc1
Show InChI InChI=1S/C21H22N2O3/c24-20(22-16-6-2-1-3-7-16)12-23-8-4-5-14-9-15-10-18-19(26-13-25-18)11-17(15)21(14)23/h1-3,6-7,10-11,14,21H,4-5,8-9,12-13H2,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027438
PNG
(CHEMBL3329378)
Show SMILES O=C(CN1CCCC2Cc3cc4OCOc4cc3C12)N1CCCCC1
Show InChI InChI=1S/C20H26N2O3/c23-19(21-6-2-1-3-7-21)12-22-8-4-5-14-9-15-10-17-18(25-13-24-17)11-16(15)20(14)22/h10-11,14,20H,1-9,12-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027443
PNG
(CHEMBL3329383)
Show SMILES COc1ccc2CC3CCCN(C3c2c1)C(C)=O
Show InChI InChI=1S/C15H19NO2/c1-10(17)16-7-3-4-12-8-11-5-6-13(18-2)9-14(11)15(12)16/h5-6,9,12,15H,3-4,7-8H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027387
PNG
(CHEMBL3329366)
Show SMILES COc1cc2CC3CCCNC3c2cc1OC
Show InChI InChI=1S/C14H19NO2/c1-16-12-7-10-6-9-4-3-5-15-14(9)11(10)8-13(12)17-2/h7-9,14-15H,3-6H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027449
PNG
(CHEMBL3329386)
Show SMILES COc1cc2C3C(Cc2cc1Cl)CCCN3C
Show InChI InChI=1S/C14H18ClNO/c1-16-5-3-4-9-6-10-7-12(15)13(17-2)8-11(10)14(9)16/h7-9,14H,3-6H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027450
PNG
(CHEMBL3329387)
Show SMILES Oc1cc2C3NCCCC3Cc2cc1Cl
Show InChI InChI=1S/C12H14ClNO/c13-10-5-8-4-7-2-1-3-14-12(7)9(8)6-11(10)15/h5-7,12,14-15H,1-4H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027453
PNG
(CHEMBL3329389)
Show SMILES COc1cc2C3C(Cc2cc1Cl)CCCN3C(C)=O
Show InChI InChI=1S/C15H18ClNO2/c1-9(18)17-5-3-4-10-6-11-7-13(16)14(19-2)8-12(11)15(10)17/h7-8,10,15H,3-6H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027452
PNG
(CHEMBL3329388)
Show SMILES CN1CCCC2Cc3cc(Cl)c(O)cc3C12
Show InChI InChI=1S/C13H16ClNO/c1-15-4-2-3-8-5-9-6-11(14)12(16)7-10(9)13(8)15/h6-8,13,16H,2-5H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50027440
PNG
(CHEMBL3329380)
Show SMILES COc1ccc2CC3CCCN(C)C3c2c1
Show InChI InChI=1S/C14H19NO/c1-15-7-3-4-11-8-10-5-6-12(16-2)9-13(10)14(11)15/h5-6,9,11,14H,3-4,7-8H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027380
PNG
(CHEMBL3329374)
Show SMILES CN1CCCC2Cc3cc4OCOc4cc3C12
Show InChI InChI=1S/C14H17NO2/c1-15-4-2-3-9-5-10-6-12-13(17-8-16-12)7-11(10)14(9)15/h6-7,9,14H,2-5,8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50027450
PNG
(CHEMBL3329387)
Show SMILES Oc1cc2C3NCCCC3Cc2cc1Cl
Show InChI InChI=1S/C12H14ClNO/c13-10-5-8-4-7-2-1-3-14-12(7)9(8)6-11(10)15/h5-7,12,14-15H,1-4H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting

Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%