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BDBM50226256 6-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenoxy)nicotinamide::CHEMBL237295

SMILES: NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1

InChI Key: InChIKey=RAFLIAKPWNTXKX-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 = 50226256   
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))
BDBM50226256
PNG
(6-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phe...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)19-7-10-22(25-15-19)28-21-8-5-17(6-9-21)11-13-26-14-12-18-3-1-2-4-20(18)16-26/h1-10,15H,11-14,16H2,(H2,24,27)
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PC sid
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Article
PubMed
5.10n/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)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226256
PNG
(6-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phe...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)19-7-10-22(25-15-19)28-21-8-5-17(6-9-21)11-13-26-14-12-18-3-1-2-4-20(18)16-26/h1-10,15H,11-14,16H2,(H2,24,27)
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Article
PubMed
144n/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)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226256
PNG
(6-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phe...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)19-7-10-22(25-15-19)28-21-8-5-17(6-9-21)11-13-26-14-12-18-3-1-2-4-20(18)16-26/h1-10,15H,11-14,16H2,(H2,24,27)
PDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
188n/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)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair