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BDBM50316694 CHEMBL1095196::N-[2-(7-{4-[8-(Methoxycarbonylmethyl)naphthalen-2-yloxy]butoxy}naphthalen-1-yl)ethyl]acetamide

SMILES: COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12

InChI Key: InChIKey=BIDDLRZUESRXIV-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 = 50316694   
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))
BDBM50316694
PNG
(CHEMBL1095196 | N-[2-(7-{4-[8-(Methoxycarbonylmeth...)
Show SMILES COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H33NO5/c1-22(33)32-16-15-25-9-5-7-23-11-13-27(20-29(23)25)36-17-3-4-18-37-28-14-12-24-8-6-10-26(30(24)21-28)19-31(34)35-2/h5-14,20-21H,3-4,15-19H2,1-2H3,(H,32,33)
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0.0700n/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))
BDBM50316694
PNG
(CHEMBL1095196 | N-[2-(7-{4-[8-(Methoxycarbonylmeth...)
Show SMILES COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H33NO5/c1-22(33)32-16-15-25-9-5-7-23-11-13-27(20-29(23)25)36-17-3-4-18-37-28-14-12-24-8-6-10-26(30(24)21-28)19-31(34)35-2/h5-14,20-21H,3-4,15-19H2,1-2H3,(H,32,33)
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1.80n/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))
BDBM50316694
PNG
(CHEMBL1095196 | N-[2-(7-{4-[8-(Methoxycarbonylmeth...)
Show SMILES COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H33NO5/c1-22(33)32-16-15-25-9-5-7-23-11-13-27(20-29(23)25)36-17-3-4-18-37-28-14-12-24-8-6-10-26(30(24)21-28)19-31(34)35-2/h5-14,20-21H,3-4,15-19H2,1-2H3,(H,32,33)
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n/an/an/an/a 2.90n/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))
BDBM50316694
PNG
(CHEMBL1095196 | N-[2-(7-{4-[8-(Methoxycarbonylmeth...)
Show SMILES COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H33NO5/c1-22(33)32-16-15-25-9-5-7-23-11-13-27(20-29(23)25)36-17-3-4-18-37-28-14-12-24-8-6-10-26(30(24)21-28)19-31(34)35-2/h5-14,20-21H,3-4,15-19H2,1-2H3,(H,32,33)
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n/an/an/an/a>1n/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