BDBM50426656 CHEMBL2326200

SMILES CCC(=O)NCCCc1cc(OC)ccc1C#Cc1cccc(OC)c1

InChI Key InChIKey=ABJOHSLYSRTJAR-UHFFFAOYSA-N

Data  2 KI  2 EC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50426656   

TargetMelatonin receptor type 1B(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50426656(CHEMBL2326200)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1C#Cc1cccc(OC)c1
Show InChI InChI=1S/C22H25NO3/c1-4-22(24)23-14-6-8-19-16-21(26-3)13-12-18(19)11-10-17-7-5-9-20(15-17)25-2/h5,7,9,12-13,15-16H,4,6,8,14H2,1-3H3,(H,23,24)
Affinity DataKi:  0.0730nMAssay Description:Displacement of [3H]melatonin from human MT2 receptor expressed in CHO cells after 60 mins by microbeta scintillation methodMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50426656(CHEMBL2326200)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1C#Cc1cccc(OC)c1
Show InChI InChI=1S/C22H25NO3/c1-4-22(24)23-14-6-8-19-16-21(26-3)13-12-18(19)11-10-17-7-5-9-20(15-17)25-2/h5,7,9,12-13,15-16H,4,6,8,14H2,1-3H3,(H,23,24)
Affinity DataKi:  38nMAssay Description:Displacement of [3H]melatonin from human MT1 receptor expressed in CHO cells after 60 mins by microbeta scintillation methodMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50426656(CHEMBL2326200)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1C#Cc1cccc(OC)c1
Show InChI InChI=1S/C22H25NO3/c1-4-22(24)23-14-6-8-19-16-21(26-3)13-12-18(19)11-10-17-7-5-9-20(15-17)25-2/h5,7,9,12-13,15-16H,4,6,8,14H2,1-3H3,(H,23,24)
Affinity DataEC50:  0.110nMAssay Description:Agonist activity at human MT2 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50426656(CHEMBL2326200)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1C#Cc1cccc(OC)c1
Show InChI InChI=1S/C22H25NO3/c1-4-22(24)23-14-6-8-19-16-21(26-3)13-12-18(19)11-10-17-7-5-9-20(15-17)25-2/h5,7,9,12-13,15-16H,4,6,8,14H2,1-3H3,(H,23,24)
Affinity DataEC50:  8.40nMAssay Description:Agonist activity at human MT1 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured...More data for this Ligand-Target Pair