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BDBM50188416 CHEMBL207420::N-(2-[5-methoxy-1H-indol-3-yl]-2,2-trimethyleneethyl)propanamide

SMILES: CCC(=O)NCC1(CCC1)c1c[nH]c2ccc(OC)cc12

InChI Key: InChIKey=OOJPLVBKPXQKBO-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 = 50188416   
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))
BDBM50188416
PNG
(CHEMBL207420 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES CCC(=O)NCC1(CCC1)c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C17H22N2O2/c1-3-16(20)19-11-17(7-4-8-17)14-10-18-15-6-5-12(21-2)9-13(14)15/h5-6,9-10,18H,3-4,7-8,11H2,1-2H3,(H,19,20)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
32n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188416
PNG
(CHEMBL207420 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES CCC(=O)NCC1(CCC1)c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C17H22N2O2/c1-3-16(20)19-11-17(7-4-8-17)14-10-18-15-6-5-12(21-2)9-13(14)15/h5-6,9-10,18H,3-4,7-8,11H2,1-2H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
65.7n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair