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BDBM50226246 6-(2-phenethyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)nicotinamide::CHEMBL237072

SMILES: NC(=O)c1ccc(Oc2ccc3CCN(CCc4ccccc4)Cc3c2)nc1

InChI Key: InChIKey=IZPIYLICUYIVEI-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 = 50226246   
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))
BDBM50226246
PNG
(6-(2-phenethyl-1,2,3,4-tetrahydroisoquinolin-7-ylo...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CCN(CCc4ccccc4)Cc3c2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)19-7-9-22(25-15-19)28-21-8-6-18-11-13-26(16-20(18)14-21)12-10-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H2,24,27)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.33E+3n/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))
BDBM50226246
PNG
(6-(2-phenethyl-1,2,3,4-tetrahydroisoquinolin-7-ylo...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CCN(CCc4ccccc4)Cc3c2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)19-7-9-22(25-15-19)28-21-8-6-18-11-13-26(16-20(18)14-21)12-10-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H2,24,27)
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PC cid
PC sid
UniChem
Article
PubMed
3.61E+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))
BDBM50226246
PNG
(6-(2-phenethyl-1,2,3,4-tetrahydroisoquinolin-7-ylo...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CCN(CCc4ccccc4)Cc3c2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)19-7-9-22(25-15-19)28-21-8-6-18-11-13-26(16-20(18)14-21)12-10-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H2,24,27)
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
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 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