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BDBM50140315 CHEMBL18960::N-[(1R,2R)-2-(2-Ethyl-2,3-dihydro-benzooxazol-7-yl)-cyclopropylmethyl]-acetamide

SMILES: CCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1

InChI Key: InChIKey=WBLXSVRQLVGTTO-QXQDIAAESA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50140315   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50140315
PNG
(CHEMBL18960 | N-[(1R,2R)-2-(2-Ethyl-2,3-dihydro-be...)
Show SMILES CCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1
Show InChI InChI=1S/C15H20N2O2/c1-3-14-17-13-6-4-5-11(15(13)19-14)12-7-10(12)8-16-9(2)18/h4-6,10,12,14,17H,3,7-8H2,1-2H3,(H,16,18)/t10-,12+,14?/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140315
PNG
(CHEMBL18960 | N-[(1R,2R)-2-(2-Ethyl-2,3-dihydro-be...)
Show SMILES CCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1
Show InChI InChI=1S/C15H20N2O2/c1-3-14-17-13-6-4-5-11(15(13)19-14)12-7-10(12)8-16-9(2)18/h4-6,10,12,14,17H,3,7-8H2,1-2H3,(H,16,18)/t10-,12+,14?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.880n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair