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BDBM50093265 CHEMBL336647::N-(4-Methoxy-2,3-dihydro-1H-phenalen-1-ylmethyl)-acetamide

SMILES: COc1ccc2cccc3C(CNC(C)=O)CCc1c23

InChI Key: InChIKey=ZXFQVANTAXUIKB-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 = 50093265   
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))
BDBM50093265
PNG
(CHEMBL336647 | N-(4-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES COc1ccc2cccc3C(CNC(C)=O)CCc1c23
Show InChI InChI=1S/C17H19NO2/c1-11(19)18-10-13-6-8-15-16(20-2)9-7-12-4-3-5-14(13)17(12)15/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,18,19)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.410n/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))
BDBM50093265
PNG
(CHEMBL336647 | N-(4-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES COc1ccc2cccc3C(CNC(C)=O)CCc1c23
Show InChI InChI=1S/C17H19NO2/c1-11(19)18-10-13-6-8-15-16(20-2)9-7-12-4-3-5-14(13)17(12)15/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/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