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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50096976   
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))
BDBM50096976
PNG
(CHEMBL3580908)
Show SMILES COc1ccc2[nH]cc(CCC(=O)NCC#C)c2c1
Show InChI InChI=1S/C15H16N2O2/c1-3-8-16-15(18)7-4-11-10-17-14-6-5-12(19-2)9-13(11)14/h1,5-6,9-10,17H,4,7-8H2,2H3,(H,16,18)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/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))
BDBM50096976
PNG
(CHEMBL3580908)
Show SMILES COc1ccc2[nH]cc(CCC(=O)NCC#C)c2c1
Show InChI InChI=1S/C15H16N2O2/c1-3-8-16-15(18)7-4-11-10-17-14-6-5-12(19-2)9-13(11)14/h1,5-6,9-10,17H,4,7-8H2,2H3,(H,16,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 38n/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