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BDBM50144221 CHEMBL3759802

SMILES: COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1

InChI Key: InChIKey=YKMQNVAWVSTIDM-UHFFFAOYSA-N

Data: 3 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 5 hits for monomerid = 50144221   
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))
BDBM50144221
PNG
(CHEMBL3759802)
Show SMILES COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
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PubMed
0.0900n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144221
PNG
(CHEMBL3759802)
Show SMILES COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
PDB

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2.80n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144221
PNG
(CHEMBL3759802)
Show SMILES COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
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Article
PubMed
140n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin)


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144221
PNG
(CHEMBL3759802)
Show SMILES COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.700n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144221
PNG
(CHEMBL3759802)
Show SMILES COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
PDB

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KEGG

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.60n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair