BindingDB logo
myBDB logout

BDBM50142230 CHEMBL416328::N-[3-(3-Methoxy-phenoxy)-phenyl]-butyramide

SMILES: CCCC(=O)Nc1cccc(Oc2cccc(OC)c2)c1

InChI Key: InChIKey=QYSMRHITELQHPB-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 = 50142230   
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))
BDBM50142230
PNG
(CHEMBL416328 | N-[3-(3-Methoxy-phenoxy)-phenyl]-bu...)
Show SMILES CCCC(=O)Nc1cccc(Oc2cccc(OC)c2)c1
Show InChI InChI=1S/C17H19NO3/c1-3-6-17(19)18-13-7-4-9-15(11-13)21-16-10-5-8-14(12-16)20-2/h4-5,7-12H,3,6H2,1-2H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50142230
PNG
(CHEMBL416328 | N-[3-(3-Methoxy-phenoxy)-phenyl]-bu...)
Show SMILES CCCC(=O)Nc1cccc(Oc2cccc(OC)c2)c1
Show InChI InChI=1S/C17H19NO3/c1-3-6-17(19)18-13-7-4-9-15(11-13)21-16-10-5-8-14(12-16)20-2/h4-5,7-12H,3,6H2,1-2H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair