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BDBM50219925 6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide::CHEMBL237066

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

InChI Key: InChIKey=FCDWJNPFPYAKET-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50219925   
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))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
PDB

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PubMed
2.30n/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]GTPgammaS binding assay


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

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
PDB

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Article
PubMed
7.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
PDB

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Article
PubMed
7.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from cloned human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
PDB

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PubMed
18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
PDB

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Article
PubMed
23n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
PDB

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Article
PubMed
70n/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)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
PDB

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Article
PubMed
70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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Article
PubMed
136n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from cloned human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
136n/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)

More data for this
Ligand-Target Pair