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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50136412   
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))
BDBM50136412
PNG
(1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...)
Show SMILES CCCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C16H23N3O2/c1-2-8-17-16(20)18-12-6-9-19(11-12)14-4-3-5-15-13(14)7-10-21-15/h3-5,12H,2,6-11H2,1H3,(H2,17,18,20)/t12-/m1/s1
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PC cid
PC sid
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Similars

PubMed
2.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50136412
PNG
(1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...)
Show SMILES CCCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C16H23N3O2/c1-2-8-17-16(20)18-12-6-9-19(11-12)14-4-3-5-15-13(14)7-10-21-15/h3-5,12H,2,6-11H2,1H3,(H2,17,18,20)/t12-/m1/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair