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BDBM50084248 CHEMBL124642::CHEMBL555571::N,N-Diethyl-4-[(4-methyl-piperazin-1-yl)-phenyl-methyl]-benzamide; hydrochloride

SMILES: CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1

InChI Key: InChIKey=ADYWDZJRWKEHMW-UHFFFAOYNA-N

Data: 3 KI  3 IC50  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 7 hits for monomerid = 50084248   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50084248
PNG
(CHEMBL124642 | CHEMBL555571 | N,N-Diethyl-4-[(4-me...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
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43n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
In vitro binding affinity to Opioid receptor delta 1 in rat brain membranes by [3H]DADLE (Tyr-D-Ala-Gly-Phe-D-Leu) displacement.


J Med Chem 42: 5455-63 (2000)


Article DOI: 10.1021/jm9903895
BindingDB Entry DOI: 10.7270/Q2QJ7J0X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50084248
PNG
(CHEMBL124642 | CHEMBL555571 | N,N-Diethyl-4-[(4-me...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
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1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
In vitro radioligand binding assay, for inhibition of [3H]U-69593 binding to Opioid receptor kappa 1, in guinea pig brain membranes, at highest conce...


J Med Chem 42: 5455-63 (2000)


Article DOI: 10.1021/jm9903895
BindingDB Entry DOI: 10.7270/Q2QJ7J0X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50084248
PNG
(CHEMBL124642 | CHEMBL555571 | N,N-Diethyl-4-[(4-me...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
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1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
In vitro radioligand binding assay, for inhibition of [3H]DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 in rat brain membrane...


J Med Chem 42: 5455-63 (2000)


Article DOI: 10.1021/jm9903895
BindingDB Entry DOI: 10.7270/Q2QJ7J0X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50084248
PNG
(CHEMBL124642 | CHEMBL555571 | N,N-Diethyl-4-[(4-me...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
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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 mu 1 using [125I]FK33824 as radioligand


J Med Chem 43: 3878-94 (2000)


Article DOI: 10.1021/jm000228x
BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50084248
PNG
(CHEMBL124642 | CHEMBL555571 | N,N-Diethyl-4-[(4-me...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
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n/an/an/an/a 211n/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)


Article DOI: 10.1021/jm000228x
BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50084248
PNG
(CHEMBL124642 | CHEMBL555571 | N,N-Diethyl-4-[(4-me...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
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n/an/a 40n/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)


Article DOI: 10.1021/jm000228x
BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50084248
PNG
(CHEMBL124642 | CHEMBL555571 | N,N-Diethyl-4-[(4-me...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
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n/an/a 6.97E+3n/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)


Article DOI: 10.1021/jm000228x
BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair