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BDBM50175718 (4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)(4-methylpiperazin-1-yl)methanone::CHEMBL426470

SMILES: CN1CCN(CC1)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=AMHXVALGTLRIMQ-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50175718   
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))
BDBM50175718
PNG
((4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H33N5O/c1-29-18-20-31(21-19-29)26(33)30-15-12-27(13-16-30,24-10-6-3-7-11-24)25-28-14-17-32(25)22-23-8-4-2-5-9-23/h2-11,14,17H,12-13,15-16,18-22H2,1H3
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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
161n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50175718
PNG
((4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H33N5O/c1-29-18-20-31(21-19-29)26(33)30-15-12-27(13-16-30,24-10-6-3-7-11-24)25-28-14-17-32(25)22-23-8-4-2-5-9-23/h2-11,14,17H,12-13,15-16,18-22H2,1H3
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PC sid
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Article
PubMed
858n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50175718
PNG
((4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H33N5O/c1-29-18-20-31(21-19-29)26(33)30-15-12-27(13-16-30,24-10-6-3-7-11-24)25-28-14-17-32(25)22-23-8-4-2-5-9-23/h2-11,14,17H,12-13,15-16,18-22H2,1H3
PDB

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Article
PubMed
>4.65E+3n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair