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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50575517'   
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))
BDBM50575517
PNG
(CHEMBL4869463)
Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CC1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.710n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00627
BindingDB Entry DOI: 10.7270/Q2Z03CZJ
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50575517
PNG
(CHEMBL4869463)
Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CC1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.75n/an/an/an/a


TBA

Assay Description
Agonist activity at human MT1 receptor expressed in CHO cells assessed as increase in cAMP levels incubated at 28 degreeC by cellular dielectric spec...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00627
BindingDB Entry DOI: 10.7270/Q2Z03CZJ
More data for this
Ligand-Target Pair