Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50096977'
TargetMelatonin receptor type 1A(Homo sapiens (Human))
IQM-CSIC

Curated by ChEMBL
LigandPNGBDBM50096977(CHEMBL3580909)
Show SMILES COc1ccc2[nH]cc(CC(=O)NCC=C)c2c1
Show InChI InChI=1S/C14H16N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h3-5,8-9,16H,1,6-7H2,2H3,(H,15,17)
Affinity DataKi:  17nMAssay Description:Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
IQM-CSIC

Curated by ChEMBL
LigandPNGBDBM50096977(CHEMBL3580909)
Show SMILES COc1ccc2[nH]cc(CC(=O)NCC=C)c2c1
Show InChI InChI=1S/C14H16N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h3-5,8-9,16H,1,6-7H2,2H3,(H,15,17)
Affinity DataEC50:  525nMAssay Description:Agonist activity at human melatonin receptor-1 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assayMore data for this Ligand-Target Pair