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BDBM50306288 4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-diethylbenzamide::CHEMBL605293

SMILES: CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1

InChI Key: InChIKey=OKNXWFSWOBEIQA-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 = 50306288   
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))
BDBM50306288
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-11-13-22(14-12-21)26(23-7-5-8-24(29)17-23)15-6-16-27(19-26)18-20-9-10-20/h5,7-8,11-14,17,20,29H,3-4,6,9-10,15-16,18-19H2,1-2H3
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Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
BindingDB Entry DOI: 10.7270/Q2C53KX1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306288
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-11-13-22(14-12-21)26(23-7-5-8-24(29)17-23)15-6-16-27(19-26)18-20-9-10-20/h5,7-8,11-14,17,20,29H,3-4,6,9-10,15-16,18-19H2,1-2H3
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Article
PubMed
24n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
BindingDB Entry DOI: 10.7270/Q2C53KX1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306288
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-11-13-22(14-12-21)26(23-7-5-8-24(29)17-23)15-6-16-27(19-26)18-20-9-10-20/h5,7-8,11-14,17,20,29H,3-4,6,9-10,15-16,18-19H2,1-2H3
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Article
PubMed
35n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
BindingDB Entry DOI: 10.7270/Q2C53KX1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306288
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-11-13-22(14-12-21)26(23-7-5-8-24(29)17-23)15-6-16-27(19-26)18-20-9-10-20/h5,7-8,11-14,17,20,29H,3-4,6,9-10,15-16,18-19H2,1-2H3
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Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor by GTPgammaS bunding assay


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
BindingDB Entry DOI: 10.7270/Q2C53KX1
More data for this
Ligand-Target Pair