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BDBM50093288 CHEMBL129889::N-(4-Methoxy-2,3-dihydro-1H-phenalen-1-ylmethyl)-propionamide

SMILES: CCC(=O)NCC1CCc2c(OC)ccc3cccc1c23

InChI Key: InChIKey=XXKKFOXRLNKBFZ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50093288   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50093288
PNG
(CHEMBL129889 | N-(4-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCC(=O)NCC1CCc2c(OC)ccc3cccc1c23
Show InChI InChI=1S/C18H21NO2/c1-3-17(20)19-11-13-7-9-15-16(21-2)10-8-12-5-4-6-14(13)18(12)15/h4-6,8,10,13H,3,7,9,11H2,1-2H3,(H,19,20)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.130n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


Article DOI: 10.1021/jm000922c
BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50093288
PNG
(CHEMBL129889 | N-(4-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCC(=O)NCC1CCc2c(OC)ccc3cccc1c23
Show InChI InChI=1S/C18H21NO2/c1-3-17(20)19-11-13-7-9-15-16(21-2)10-8-12-5-4-6-14(13)18(12)15/h4-6,8,10,13H,3,7,9,11H2,1-2H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.190n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


Article DOI: 10.1021/jm000922c
BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair