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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50139849   
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))
BDBM50139849
PNG
(CHEMBL3763537)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-23(11-12-24(28-25)30-2)31-26(21)22-15-17-7-3-4-8-18(17)19-9-5-6-10-20(19)22/h3-12,15H,13-14H2,1-2H3,(H,27,29)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50139849
PNG
(CHEMBL3763537)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-23(11-12-24(28-25)30-2)31-26(21)22-15-17-7-3-4-8-18(17)19-9-5-6-10-20(19)22/h3-12,15H,13-14H2,1-2H3,(H,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
68n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair