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BDBM50316692 CHEMBL1094212::N-[2-(7-{4-(4'-Hydroxymethylbiphenyl-4-yloxy}butoxy)-naphthalen-1-yl)ethyl]acetamide

SMILES: CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(CO)cc3)cc12

InChI Key: InChIKey=VDBKGGONHKGNTE-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50316692   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50316692
PNG
(CHEMBL1094212 | N-[2-(7-{4-(4'-Hydroxymethylbiphen...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(CO)cc3)cc12
Show InChI InChI=1S/C31H33NO4/c1-23(34)32-18-17-28-6-4-5-27-13-16-30(21-31(27)28)36-20-3-2-19-35-29-14-11-26(12-15-29)25-9-7-24(22-33)8-10-25/h4-16,21,33H,2-3,17-20,22H2,1H3,(H,32,34)
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0.0900n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316692
PNG
(CHEMBL1094212 | N-[2-(7-{4-(4'-Hydroxymethylbiphen...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(CO)cc3)cc12
Show InChI InChI=1S/C31H33NO4/c1-23(34)32-18-17-28-6-4-5-27-13-16-30(21-31(27)28)36-20-3-2-19-35-29-14-11-26(12-15-29)25-9-7-24(22-33)8-10-25/h4-16,21,33H,2-3,17-20,22H2,1H3,(H,32,34)
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6.5n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316692
PNG
(CHEMBL1094212 | N-[2-(7-{4-(4'-Hydroxymethylbiphen...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(CO)cc3)cc12
Show InChI InChI=1S/C31H33NO4/c1-23(34)32-18-17-28-6-4-5-27-13-16-30(21-31(27)28)36-20-3-2-19-35-29-14-11-26(12-15-29)25-9-7-24(22-33)8-10-25/h4-16,21,33H,2-3,17-20,22H2,1H3,(H,32,34)
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n/an/an/an/a 2.40n/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316692
PNG
(CHEMBL1094212 | N-[2-(7-{4-(4'-Hydroxymethylbiphen...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(CO)cc3)cc12
Show InChI InChI=1S/C31H33NO4/c1-23(34)32-18-17-28-6-4-5-27-13-16-30(21-31(27)28)36-20-3-2-19-35-29-14-11-26(12-15-29)25-9-7-24(22-33)8-10-25/h4-16,21,33H,2-3,17-20,22H2,1H3,(H,32,34)
Reactome pathway
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Article
PubMed
n/an/an/an/a 26n/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair