BindingDB logo
myBDB logout

BDBM50213388 CHEMBL233570::ethyl 4-(1-(3-methoxybenzyl)-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate

SMILES: CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(OC)c1)c1ccccc1

InChI Key: InChIKey=JFTAXZGFKWLKGO-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 = 50213388   
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))
BDBM50213388
PNG
(CHEMBL233570 | ethyl 4-(1-(3-methoxybenzyl)-1H-imi...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(OC)c1)c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-3-31-24(29)27-15-12-25(13-16-27,21-9-5-4-6-10-21)23-26-14-17-28(23)19-20-8-7-11-22(18-20)30-2/h4-11,14,17-18H,3,12-13,15-16,19H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50213388
PNG
(CHEMBL233570 | ethyl 4-(1-(3-methoxybenzyl)-1H-imi...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(OC)c1)c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-3-31-24(29)27-15-12-25(13-16-27,21-9-5-4-6-10-21)23-26-14-17-28(23)19-20-8-7-11-22(18-20)30-2/h4-11,14,17-18H,3,12-13,15-16,19H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
366n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50213388
PNG
(CHEMBL233570 | ethyl 4-(1-(3-methoxybenzyl)-1H-imi...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(OC)c1)c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-3-31-24(29)27-15-12-25(13-16-27,21-9-5-4-6-10-21)23-26-14-17-28(23)19-20-8-7-11-22(18-20)30-2/h4-11,14,17-18H,3,12-13,15-16,19H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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]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