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SMILES: CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1

InChI Key: InChIKey=CKNSULFOVOHSDA-UHFFFAOYSA-N

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 6 hits for monomerid = 50092668   
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))
BDBM50092668
PNG
(CHEMBL126382 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,20,22,24H,3-4,14-17H2,1-2H3
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PubMed
n/an/an/an/a 121n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency was measured using GTP gamma-[35S] binding assay


J Med Chem 43: 3878-94 (2000)


BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092668
PNG
(CHEMBL126382 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,20,22,24H,3-4,14-17H2,1-2H3
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PubMed
n/an/a 8.80n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand


J Med Chem 43: 3878-94 (2000)


BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092668
PNG
(CHEMBL126382 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,20,22,24H,3-4,14-17H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 using [125I]-D-Pro10-dynorphin A[1-11] as radioligand


J Med Chem 43: 3878-94 (2000)


BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092668
PNG
(CHEMBL126382 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,20,22,24H,3-4,14-17H2,1-2H3
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PubMed
n/an/an/an/a 121n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.


J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50092668
PNG
(CHEMBL126382 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,20,22,24H,3-4,14-17H2,1-2H3
PDB

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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor mu 1 using [125I]FK33824 as radioligand


J Med Chem 43: 3878-94 (2000)


BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092668
PNG
(CHEMBL126382 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,20,22,24H,3-4,14-17H2,1-2H3
PDB

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PubMed
n/an/a 8.80n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.


J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair