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BDBM50175737 4-(1-benzyl-1H-imidazol-2-yl)-N-(2-methoxyphenyl)-4-phenylpiperidine-1-carboxamide::CHEMBL199378

SMILES: COc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=YHGHTEGMNWFBMH-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50175737   
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))
BDBM50175737
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N-(2-methoxyphenyl)-...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-35-26-15-9-8-14-25(26)31-28(34)32-19-16-29(17-20-32,24-12-6-3-7-13-24)27-30-18-21-33(27)22-23-10-4-2-5-11-23/h2-15,18,21H,16-17,19-20,22H2,1H3,(H,31,34)
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Article
PubMed
31n/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))
BDBM50175737
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N-(2-methoxyphenyl)-...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-35-26-15-9-8-14-25(26)31-28(34)32-19-16-29(17-20-32,24-12-6-3-7-13-24)27-30-18-21-33(27)22-23-10-4-2-5-11-23/h2-15,18,21H,16-17,19-20,22H2,1H3,(H,31,34)
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PubMed
782n/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))
BDBM50175737
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N-(2-methoxyphenyl)-...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-35-26-15-9-8-14-25(26)31-28(34)32-19-16-29(17-20-32,24-12-6-3-7-13-24)27-30-18-21-33(27)22-23-10-4-2-5-11-23/h2-15,18,21H,16-17,19-20,22H2,1H3,(H,31,34)
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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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50175737
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N-(2-methoxyphenyl)-...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-35-26-15-9-8-14-25(26)31-28(34)32-19-16-29(17-20-32,24-12-6-3-7-13-24)27-30-18-21-33(27)22-23-10-4-2-5-11-23/h2-15,18,21H,16-17,19-20,22H2,1H3,(H,31,34)
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n/an/an/an/a 117n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist potency assessed by [35S]GTP-gammaS binding assay in C6 Glioma cells expressing 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