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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50473400'   
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))
BDBM50473400
PNG
(CHEMBL98520)
Show SMILES COc1cccc2n(Cc3ccccc3)c(CNC(C)=O)c(Br)c12
Show InChI InChI=1S/C19H19BrN2O2/c1-13(23)21-11-16-19(20)18-15(9-6-10-17(18)24-2)22(16)12-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,21,23)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
141n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin


J Med Chem 44: 2900-12 (2001)


Article DOI: 10.1021/jm001125h
BindingDB Entry DOI: 10.7270/Q2QC067J
More data for this
Ligand-Target Pair