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BDBM50219929 6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinic acid::CHEMBL236395

SMILES: OC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1

InChI Key: InChIKey=MEZNEFBHBAMFKU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50219929   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219929
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinic acid ...)
Show SMILES OC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H20N2O3/c24-21(25)18-8-11-20(23-15-18)26-19-9-6-16(7-10-19)12-13-22-14-17-4-2-1-3-5-17/h1-11,15,22H,12-14H2,(H,24,25)
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PC cid
PC sid
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Similars

Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
BindingDB Entry DOI: 10.7270/Q2668CX7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219929
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinic acid ...)
Show SMILES OC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H20N2O3/c24-21(25)18-8-11-20(23-15-18)26-19-9-6-16(7-10-19)12-13-22-14-17-4-2-1-3-5-17/h1-11,15,22H,12-14H2,(H,24,25)
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PC sid
UniChem

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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
BindingDB Entry DOI: 10.7270/Q2668CX7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219929
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinic acid ...)
Show SMILES OC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H20N2O3/c24-21(25)18-8-11-20(23-15-18)26-19-9-6-16(7-10-19)12-13-22-14-17-4-2-1-3-5-17/h1-11,15,22H,12-14H2,(H,24,25)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
BindingDB Entry DOI: 10.7270/Q2668CX7
More data for this
Ligand-Target Pair