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BDBM50213372 CHEMBL399205::propyl 4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate

SMILES: CCCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=MYVZSNZLGIJIOS-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50213372   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213372
PNG
(CHEMBL399205 | propyl 4-(1-benzyl-1H-imidazol-2-yl...)
Show SMILES CCCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O2/c1-2-19-30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)20-21-9-5-3-6-10-21/h3-12,15,18H,2,13-14,16-17,19-20H2,1H3
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Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50213372
PNG
(CHEMBL399205 | propyl 4-(1-benzyl-1H-imidazol-2-yl...)
Show SMILES CCCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O2/c1-2-19-30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)20-21-9-5-3-6-10-21/h3-12,15,18H,2,13-14,16-17,19-20H2,1H3
PDB

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Article
PubMed
>465n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from cloned human mu opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50213372
PNG
(CHEMBL399205 | propyl 4-(1-benzyl-1H-imidazol-2-yl...)
Show SMILES CCCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O2/c1-2-19-30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)20-21-9-5-3-6-10-21/h3-12,15,18H,2,13-14,16-17,19-20H2,1H3
PDB

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antibodypedia
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PC sid
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Article
PubMed
>4.65E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned human kappa opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair