BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 4 hits of ec50 for monomerid = 50096968   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50096968
PNG
(CHEMBL3580919)
Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1
Show InChI InChI=1S/C13H13N3O3/c1-18-9-3-4-11-10(6-9)8(7-14-11)2-5-12-15-16-13(17)19-12/h3-4,6-7,14H,2,5H2,1H3,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.5n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant melatonin receptor-2 expressed in CHO cells assessed as decrease of cAMP level after 10 mins by HTRF assay


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50096968
PNG
(CHEMBL3580919)
Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1
Show InChI InChI=1S/C13H13N3O3/c1-18-9-3-4-11-10(6-9)8(7-14-11)2-5-12-15-16-13(17)19-12/h3-4,6-7,14H,2,5H2,1H3,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 29n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human melatonin receptor-2 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50096968
PNG
(CHEMBL3580919)
Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1
Show InChI InChI=1S/C13H13N3O3/c1-18-9-3-4-11-10(6-9)8(7-14-11)2-5-12-15-16-13(17)19-12/h3-4,6-7,14H,2,5H2,1H3,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 48n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant melatonin receptor-1 expressed in CHO cells assessed as effect on impedance by cellular dielectric spectroscopy


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50096968
PNG
(CHEMBL3580919)
Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1
Show InChI InChI=1S/C13H13N3O3/c1-18-9-3-4-11-10(6-9)8(7-14-11)2-5-12-15-16-13(17)19-12/h3-4,6-7,14H,2,5H2,1H3,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 326n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human melatonin receptor-1 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair