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2 similar compounds to monomer 97624

Compile data set for download or QSAR
Wt: 193.2
BDBM50416700
Wt: 193.2
BDBM50416701

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50416700,50416701   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50416700
PNG
(CHEMBL1223275)
Show SMILES C[C@@H](COc1ccccc1)NC(C)=O
Show InChI InChI=1S/C11H15NO2/c1-9(12-10(2)13)8-14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m0/s1
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Article
PubMed
3.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50416700
PNG
(CHEMBL1223275)
Show SMILES C[C@@H](COc1ccccc1)NC(C)=O
Show InChI InChI=1S/C11H15NO2/c1-9(12-10(2)13)8-14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.57E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50416700
PNG
(CHEMBL1223275)
Show SMILES C[C@@H](COc1ccccc1)NC(C)=O
Show InChI InChI=1S/C11H15NO2/c1-9(12-10(2)13)8-14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50416700
PNG
(CHEMBL1223275)
Show SMILES C[C@@H](COc1ccccc1)NC(C)=O
Show InChI InChI=1S/C11H15NO2/c1-9(12-10(2)13)8-14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.09E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50416701
PNG
(CHEMBL1223274)
Show SMILES C[C@H](COc1ccccc1)NC(C)=O
Show InChI InChI=1S/C11H15NO2/c1-9(12-10(2)13)8-14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.37E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50416701
PNG
(CHEMBL1223274)
Show SMILES C[C@H](COc1ccccc1)NC(C)=O
Show InChI InChI=1S/C11H15NO2/c1-9(12-10(2)13)8-14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.31E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins


Bioorg Med Chem 18: 6496-511 (2010)


Article DOI: 10.1016/j.bmc.2010.06.100
BindingDB Entry DOI: 10.7270/Q2W09757
More data for this
Ligand-Target Pair