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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor' and Ligand = 'BDBM50136400'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50136400
PNG
(CHEMBL343825 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...)
Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C15H20N2O2/c1-2-15(18)16-11-6-8-17(10-11)13-4-3-5-14-12(13)7-9-19-14/h3-5,11H,2,6-10H2,1H3,(H,16,18)/t11-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
0.180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50136400
PNG
(CHEMBL343825 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...)
Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C15H20N2O2/c1-2-15(18)16-11-6-8-17(10-11)13-4-3-5-14-12(13)7-9-19-14/h3-5,11H,2,6-10H2,1H3,(H,16,18)/t11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair