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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50142224   
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 type 1B


(Homo sapiens (Human))
BDBM50142224
PNG
(CHEMBL7708 | N-[4-(3-Methoxy-phenoxy)-phenyl]-3-me...)
Show SMILES COc1cccc(Oc2ccc(NC(=O)CC(C)C)cc2)c1
Show InChI InChI=1S/C18H21NO3/c1-13(2)11-18(20)19-14-7-9-15(10-8-14)22-17-6-4-5-16(12-17)21-3/h4-10,12-13H,11H2,1-3H3,(H,19,20)
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PC cid
PC sid
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Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50142224
PNG
(CHEMBL7708 | N-[4-(3-Methoxy-phenoxy)-phenyl]-3-me...)
Show SMILES COc1cccc(Oc2ccc(NC(=O)CC(C)C)cc2)c1
Show InChI InChI=1S/C18H21NO3/c1-13(2)11-18(20)19-14-7-9-15(10-8-14)22-17-6-4-5-16(12-17)21-3/h4-10,12-13H,11H2,1-3H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair