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BDBM50226260 6-(2-benzyl-1,2,3,4-tetrahydroisoquinolin-6-yloxy)nicotinamide::CHEMBL235155

SMILES: NC(=O)c1ccc(Oc2ccc3CN(Cc4ccccc4)CCc3c2)nc1

InChI Key: InChIKey=MPULIPYEDABGKW-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 = 50226260   
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))
BDBM50226260
PNG
(6-(2-benzyl-1,2,3,4-tetrahydroisoquinolin-6-yloxy)...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(Cc4ccccc4)CCc3c2)nc1
Show InChI InChI=1S/C22H21N3O2/c23-22(26)18-7-9-21(24-13-18)27-20-8-6-19-15-25(11-10-17(19)12-20)14-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2,(H2,23,26)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
179n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226260
PNG
(6-(2-benzyl-1,2,3,4-tetrahydroisoquinolin-6-yloxy)...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(Cc4ccccc4)CCc3c2)nc1
Show InChI InChI=1S/C22H21N3O2/c23-22(26)18-7-9-21(24-13-18)27-20-8-6-19-15-25(11-10-17(19)12-20)14-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2,(H2,23,26)
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PC sid
UniChem
Article
PubMed
2.15E+3n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226260
PNG
(6-(2-benzyl-1,2,3,4-tetrahydroisoquinolin-6-yloxy)...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(Cc4ccccc4)CCc3c2)nc1
Show InChI InChI=1S/C22H21N3O2/c23-22(26)18-7-9-21(24-13-18)27-20-8-6-19-15-25(11-10-17(19)12-20)14-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2,(H2,23,26)
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Article
PubMed
2.35E+3n/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