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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50096970   
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))
BDBM50096970
PNG
(CHEMBL3580925)
Show SMILES CCn1c(CCc2c[nH]c3ccc(OC)cc23)n[nH]c1=S
Show InChI InChI=1S/C15H18N4OS/c1-3-19-14(17-18-15(19)21)7-4-10-9-16-13-6-5-11(20-2)8-12(10)13/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,18,21)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


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


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50096970
PNG
(CHEMBL3580925)
Show SMILES CCn1c(CCc2c[nH]c3ccc(OC)cc23)n[nH]c1=S
Show InChI InChI=1S/C15H18N4OS/c1-3-19-14(17-18-15(19)21)7-4-10-9-16-13-6-5-11(20-2)8-12(10)13/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,18,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair