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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50086022   
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))
BDBM50086022
PNG
(CHEMBL275529 | N-[2-(11-Methoxy-6,7-dihydro-5H-ben...)
Show SMILES COc1ccc2n3CCCc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C22H24N2O2/c1-15(25)23-12-11-19-20-14-17(26-2)9-10-21(20)24-13-5-7-16-6-3-4-8-18(16)22(19)24/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,23,25)
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PC cid
PC sid
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Similars

PubMed
6.31n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50086022
PNG
(CHEMBL275529 | N-[2-(11-Methoxy-6,7-dihydro-5H-ben...)
Show SMILES COc1ccc2n3CCCc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C22H24N2O2/c1-15(25)23-12-11-19-20-14-17(26-2)9-10-21(20)24-13-5-7-16-6-3-4-8-18(16)22(19)24/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
275n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair