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BDBM50093271 CHEMBL130876::Cyclopropanecarboxylic acid (4-methoxy-2,3-dihydro-1H-phenalen-1-ylmethyl)-amide

SMILES: COc1ccc2cccc3C(CNC(=O)C4CC4)CCc1c23

InChI Key: InChIKey=KZPDJVRYOBEHRD-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 = 50093271   
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))
BDBM50093271
PNG
(CHEMBL130876 | Cyclopropanecarboxylic acid (4-meth...)
Show SMILES COc1ccc2cccc3C(CNC(=O)C4CC4)CCc1c23
Show InChI InChI=1S/C19H21NO2/c1-22-17-10-8-12-3-2-4-15-14(7-9-16(17)18(12)15)11-20-19(21)13-5-6-13/h2-4,8,10,13-14H,5-7,9,11H2,1H3,(H,20,21)
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.790n/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))
BDBM50093271
PNG
(CHEMBL130876 | Cyclopropanecarboxylic acid (4-meth...)
Show SMILES COc1ccc2cccc3C(CNC(=O)C4CC4)CCc1c23
Show InChI InChI=1S/C19H21NO2/c1-22-17-10-8-12-3-2-4-15-14(7-9-16(17)18(12)15)11-20-19(21)13-5-6-13/h2-4,8,10,13-14H,5-7,9,11H2,1H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.950n/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