BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 354 hits with Last Name = 'melnyk' and Initial = 'p'   
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


(Homo sapiens (Human))
BDBM50230960
PNG
(CHEMBL4089965)
Show SMILES COc1ccc2cccc(CCC(=O)NS(C)(=O)=O)c2n1
Show InChI InChI=1S/C14H16N2O4S/c1-20-13-9-7-11-5-3-4-10(14(11)15-13)6-8-12(17)16-21(2,18)19/h3-5,7,9H,6,8H2,1-2H3,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144221
PNG
(CHEMBL3759802)
Show SMILES COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230959
PNG
(CHEMBL4084612)
Show SMILES CNC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H17N3O2/c1-15-14(18)16-9-8-11-5-3-4-10-6-7-12(19-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230961
PNG
(CHEMBL4062947)
Show SMILES CCNC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C15H19N3O2/c1-3-16-15(19)17-10-9-12-6-4-5-11-7-8-13(20-2)18-14(11)12/h4-8H,3,9-10H2,1-2H3,(H2,16,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor


(Homo sapiens (Human))
BDBM50230951
PNG
(CHEMBL4095210)
Show SMILES CNC(=S)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H17N3OS/c1-15-14(19)16-9-8-11-5-3-4-10-6-7-12(18-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
0.120n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.120n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230955
PNG
(CHEMBL4102177)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-9-8-12-5-3-4-11-6-7-13(18-2)16-14(11)12/h3-7H,8-9H2,1-2H3,(H,15,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230958
PNG
(CHEMBL4071572)
Show SMILES COc1ccc2cccc(CCNC(N)=O)c2n1
Show InChI InChI=1S/C13H15N3O2/c1-18-11-6-5-9-3-2-4-10(12(9)16-11)7-8-15-13(14)17/h2-6H,7-8H2,1H3,(H3,14,15,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.210n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230955
PNG
(CHEMBL4102177)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-9-8-12-5-3-4-11-6-7-13(18-2)16-14(11)12/h3-7H,8-9H2,1-2H3,(H,15,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230965
PNG
(CHEMBL4061905)
Show SMILES COc1ccc2cccc(CCC(=O)NCCF)c2n1
Show InChI InChI=1S/C15H17FN2O2/c1-20-14-8-6-12-4-2-3-11(15(12)18-14)5-7-13(19)17-10-9-16/h2-4,6,8H,5,7,9-10H2,1H3,(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230957
PNG
(CHEMBL4082097)
Show SMILES COC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H16N2O3/c1-18-12-7-6-10-4-3-5-11(13(10)16-12)8-9-15-14(17)19-2/h3-7H,8-9H2,1-2H3,(H,15,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230956
PNG
(CHEMBL4079784)
Show SMILES CNC(=O)CCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H16N2O2/c1-15-12(17)8-6-10-4-3-5-11-7-9-13(18-2)16-14(10)11/h3-5,7,9H,6,8H2,1-2H3,(H,15,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
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
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
0.310n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
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
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144222
PNG
(CHEMBL3758717)
Show SMILES COc1ccc2ccc3oc(CNC(C)=O)cc3c2c1
Show InChI InChI=1S/C16H15NO3/c1-10(18)17-9-13-8-15-14-7-12(19-2)5-3-11(14)4-6-16(15)20-13/h3-8H,9H2,1-2H3,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230952
PNG
(CHEMBL4079699)
Show SMILES CCNC(=S)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C15H19N3OS/c1-3-16-15(20)17-10-9-12-6-4-5-11-7-8-13(19-2)18-14(11)12/h4-8H,3,9-10H2,1-2H3,(H2,16,17,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230969
PNG
(CHEMBL4070527)
Show SMILES COc1ccc2cccc(CCC(=O)NC3CC3)c2n1
Show InChI InChI=1S/C16H18N2O2/c1-20-15-10-6-12-4-2-3-11(16(12)18-15)5-9-14(19)17-13-7-8-13/h2-4,6,10,13H,5,7-9H2,1H3,(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
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
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
0.520n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230959
PNG
(CHEMBL4084612)
Show SMILES CNC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H17N3O2/c1-15-14(18)16-9-8-11-5-3-4-10-6-7-12(19-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144226
PNG
(CHEMBL3758679)
Show SMILES COc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1
Show InChI InChI=1S/C18H17NO3/c1-21-13-6-4-11-5-7-17-16(15(11)8-13)9-14(22-17)10-19-18(20)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072415
PNG
(CHEMBL3409378)
Show SMILES CN(CCCn1c2ccc(Br)cc2sc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H19BrN2OS/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-16-9-8-15(19)12-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144219
PNG
(CHEMBL3758225)
Show SMILES COc1ccc2ccc3occ(CNC(C)=O)c3c2c1
Show InChI InChI=1S/C16H15NO3/c1-10(18)17-8-12-9-20-15-6-4-11-3-5-13(19-2)7-14(11)16(12)15/h3-7,9H,8H2,1-2H3,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144310
PNG
(CHEMBL3759084)
Show SMILES COc1ccc2ccc3oc(CNC(=O)CF)cc3c2c1
Show InChI InChI=1S/C16H14FNO3/c1-20-11-4-2-10-3-5-15-14(13(10)6-11)7-12(21-15)9-18-16(19)8-17/h2-7H,8-9H2,1H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144368
PNG
(CHEMBL3759372)
Show SMILES CNC(=S)NCc1cc2c(ccc3ccc(OC)cc23)o1
Show InChI InChI=1S/C16H16N2O2S/c1-17-16(21)18-9-12-8-14-13-7-11(19-2)5-3-10(13)4-6-15(14)20-12/h3-8H,9H2,1-2H3,(H2,17,18,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230961
PNG
(CHEMBL4062947)
Show SMILES CCNC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C15H19N3O2/c1-3-16-15(19)17-10-9-12-6-4-5-11-7-8-13(20-2)18-14(11)12/h4-8H,3,9-10H2,1-2H3,(H2,16,17,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072411
PNG
(CHEMBL3409374)
Show SMILES CN(CCCn1c2ccc(Br)cc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H19BrN2O2/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-16-9-8-15(19)12-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230966
PNG
(CHEMBL4100108)
Show SMILES CCS(=O)(=O)NC(=O)CCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C15H18N2O4S/c1-3-22(19,20)17-13(18)9-7-11-5-4-6-12-8-10-14(21-2)16-15(11)12/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM321276
PNG
(N-[3-(benzylmethylamino)propyl]-3,4-dichlorobenzam...)
Show SMILES CN(CCCNC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
Show InChI InChI=1S/C18H20Cl2N2O/c1-22(13-14-6-3-2-4-7-14)11-5-10-21-18(23)15-8-9-16(19)17(20)12-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.10n/an/an/an/an/an/an/an/a



UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU)

US Patent


Assay Description
The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...


US Patent US10179761 (2019)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2NV9MBG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072410
PNG
(CHEMBL3409373)
Show SMILES CN(CCCn1c2cc(Br)ccc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H19BrN2O2/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-16-12-15(19)8-9-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM321285
PNG
(N-(2-(benzyl(methyl)amino)ethyl)-4-cyanobenzamide ...)
Show SMILES CN(CCNC(=O)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C18H19N3O/c1-21(14-16-5-3-2-4-6-16)12-11-20-18(22)17-9-7-15(13-19)8-10-17/h2-10H,11-12,14H2,1H3,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.20n/an/an/an/an/an/an/an/a



UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU)

US Patent


Assay Description
The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...


US Patent US10179761 (2019)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2NV9MBG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM321275
PNG
(N-[3-(benzylmethylamino)propyl]-2,4-dichlorobenzam...)
Show SMILES CN(CCCNC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1
Show InChI InChI=1S/C18H20Cl2N2O/c1-22(13-14-6-3-2-4-7-14)11-5-10-21-18(23)16-9-8-15(19)12-17(16)20/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.30n/an/an/an/an/an/an/an/a



UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU)

US Patent


Assay Description
The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...


US Patent US10179761 (2019)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2NV9MBG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM321262
PNG
(N-[3-(benzylmethylamino)propyl]-4-trifluoromethylb...)
Show SMILES CN(CCCNC(=O)c1ccc(cc1)C(F)(F)F)Cc1ccccc1
Show InChI InChI=1S/C19H21F3N2O/c1-24(14-15-6-3-2-4-7-15)13-5-12-23-18(25)16-8-10-17(11-9-16)19(20,21)22/h2-4,6-11H,5,12-14H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.40n/an/an/an/an/an/an/an/a



UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU)

US Patent


Assay Description
The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...


US Patent US10179761 (2019)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2NV9MBG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM321261
PNG
(N-[3-(benzylmethylamino)propyl]-4-tertbutylbenzami...)
Show SMILES CN(CCCNC(=O)c1ccc(cc1)C(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C22H30N2O/c1-22(2,3)20-13-11-19(12-14-20)21(25)23-15-8-16-24(4)17-18-9-6-5-7-10-18/h5-7,9-14H,8,15-17H2,1-4H3,(H,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.60n/an/an/an/an/an/an/an/a



UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU)

US Patent


Assay Description
The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...


US Patent US10179761 (2019)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2NV9MBG
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cell membranes incubated for 60 mins by radioligand binding assay


Eur J Med Chem 92: 807-17 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.052
BindingDB Entry DOI: 10.7270/Q2SN0BPD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM321268
PNG
(N-[4-(benzylmethylamino)butyl]-4-chlorobenzamide |...)
Show SMILES CN(CCCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1
Show InChI InChI=1S/C19H23ClN2O/c1-22(15-16-7-3-2-4-8-16)14-6-5-13-21-19(23)17-9-11-18(20)12-10-17/h2-4,7-12H,5-6,13-15H2,1H3,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.70n/an/an/an/an/an/an/an/a



UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU)

US Patent


Assay Description
The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...


US Patent US10179761 (2019)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2NV9MBG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144223
PNG
(CHEMBL3758720)
Show SMILES COc1ccc2ccc3oc(CCNC(C)=O)cc3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-14-10-16-15-9-13(20-2)5-3-12(15)4-6-17(16)21-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM321281
PNG
(N-[3-(benzylmethylamino)propyl]-3-dimethylaminoben...)
Show SMILES CN(CCCNC(=O)c1cccc(c1)N(C)C)Cc1ccccc1
Show InChI InChI=1S/C20H27N3O/c1-22(2)19-12-7-11-18(15-19)20(24)21-13-8-14-23(3)16-17-9-5-4-6-10-17/h4-7,9-12,15H,8,13-14,16H2,1-3H3,(H,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.90n/an/an/an/an/an/an/an/a



UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU)

US Patent


Assay Description
The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...


US Patent US10179761 (2019)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2NV9MBG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144226
PNG
(CHEMBL3758679)
Show SMILES COc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1
Show InChI InChI=1S/C18H17NO3/c1-21-13-6-4-11-5-7-17-16(15(11)8-13)9-14(22-17)10-19-18(20)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230951
PNG
(CHEMBL4095210)
Show SMILES CNC(=S)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H17N3OS/c1-15-14(19)16-9-8-11-5-3-4-10-6-7-12(18-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230958
PNG
(CHEMBL4071572)
Show SMILES COc1ccc2cccc(CCNC(N)=O)c2n1
Show InChI InChI=1S/C13H15N3O2/c1-18-11-6-5-9-3-2-4-10(12(9)16-11)7-8-15-13(14)17/h2-6H,7-8H2,1H3,(H3,14,15,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50038376
PNG
(CHEMBL3360556)
Show SMILES CN(CCCN1CCc2oc3ccccc3c2C1)Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-23(16-18-8-3-2-4-9-18)13-7-14-24-15-12-22-20(17-24)19-10-5-6-11-21(19)25-22/h2-6,8-11H,7,12-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from human sigma 1 receptor in human Jurkat cell membranes incubated for 2 hrs by liquid scintillation counting


Eur J Med Chem 89: 198-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.053
BindingDB Entry DOI: 10.7270/Q2XW4MFR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM321273
PNG
(N-[3-(benzylmethylamino)propyl]-4-bromobenzamide |...)
Show SMILES CN(CCCNC(=O)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C18H21BrN2O/c1-21(14-15-6-3-2-4-7-15)13-5-12-20-18(22)16-8-10-17(19)11-9-16/h2-4,6-11H,5,12-14H2,1H3,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
2.10n/an/an/an/an/an/an/an/a



UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU)

US Patent


Assay Description
The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...


US Patent US10179761 (2019)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2NV9MBG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144309
PNG
(CHEMBL3759160)
Show SMILES COc1ccc2ccc3occ(CNC(=O)CF)c3c2c1
Show InChI InChI=1S/C16H14FNO3/c1-20-12-4-2-10-3-5-14-16(13(10)6-12)11(9-21-14)8-18-15(19)7-17/h2-6,9H,7-8H2,1H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144222
PNG
(CHEMBL3758717)
Show SMILES COc1ccc2ccc3oc(CNC(C)=O)cc3c2c1
Show InChI InChI=1S/C16H15NO3/c1-10(18)17-9-13-8-15-14-7-12(19-2)5-3-11(14)4-6-16(15)20-13/h3-8H,9H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 354 total )  |  Next  |  Last  >>
Jump to: