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BDBM50175739 4-(1-benzyl-1H-imidazol-2-yl)-1-(methylsulfonyl)-4-phenylpiperidine::CHEMBL200700

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

InChI Key: InChIKey=OPVHPVTWTLCGCZ-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 = 50175739   
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))
BDBM50175739
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-1-(methylsulfonyl)-4...)
Show SMILES CS(=O)(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25N3O2S/c1-28(26,27)25-15-12-22(13-16-25,20-10-6-3-7-11-20)21-23-14-17-24(21)18-19-8-4-2-5-9-19/h2-11,14,17H,12-13,15-16,18H2,1H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
46n/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))
BDBM50175739
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-1-(methylsulfonyl)-4...)
Show SMILES CS(=O)(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25N3O2S/c1-28(26,27)25-15-12-22(13-16-25,20-10-6-3-7-11-20)21-23-14-17-24(21)18-19-8-4-2-5-9-19/h2-11,14,17H,12-13,15-16,18H2,1H3
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PubMed
2.01E+3n/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))
BDBM50175739
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-1-(methylsulfonyl)-4...)
Show SMILES CS(=O)(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25N3O2S/c1-28(26,27)25-15-12-22(13-16-25,20-10-6-3-7-11-20)21-23-14-17-24(21)18-19-8-4-2-5-9-19/h2-11,14,17H,12-13,15-16,18H2,1H3
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>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