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BDBM50149167 CHEMBL330969::N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-propionamide

SMILES: CCC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12

InChI Key: InChIKey=PTOVGUVIJNSFSE-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 = 50149167   
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))
BDBM50149167
PNG
(CHEMBL330969 | N-{3-[2-(4-Phenyl-butyl)-benzooxazo...)
Show SMILES CCC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12
Show InChI InChI=1S/C23H28N2O2/c1-2-21(26)24-17-9-14-19-13-8-15-20-23(19)27-22(25-20)16-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13,15H,2,6-7,9,12,14,16-17H2,1H3,(H,24,26)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.760n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1A by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 14: 3799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.082
BindingDB Entry DOI: 10.7270/Q2S75FSR
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50149167
PNG
(CHEMBL330969 | N-{3-[2-(4-Phenyl-butyl)-benzooxazo...)
Show SMILES CCC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12
Show InChI InChI=1S/C23H28N2O2/c1-2-21(26)24-17-9-14-19-13-8-15-20-23(19)27-22(25-20)16-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13,15H,2,6-7,9,12,14,16-17H2,1H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1B by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 14: 3799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.082
BindingDB Entry DOI: 10.7270/Q2S75FSR
More data for this
Ligand-Target Pair