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BDBM50302756 4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide::CHEMBL569956

SMILES: CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(O)c1

InChI Key: InChIKey=ZGQRBMJYBGTTBC-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50302756   
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))
BDBM50302756
PNG
(4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-22(11-9-21)32(24-6-5-7-25(33)20-24)23-12-17-30(18-13-23)19-14-26-28-15-16-29-26/h5-11,15-16,20,23,33H,3-4,12-14,17-19H2,1-2H3,(H,28,29)
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50302756
PNG
(4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-22(11-9-21)32(24-6-5-7-25(33)20-24)23-12-17-30(18-13-23)19-14-26-28-15-16-29-26/h5-11,15-16,20,23,33H,3-4,12-14,17-19H2,1-2H3,(H,28,29)
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1.19E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50302756
PNG
(4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-22(11-9-21)32(24-6-5-7-25(33)20-24)23-12-17-30(18-13-23)19-14-26-28-15-16-29-26/h5-11,15-16,20,23,33H,3-4,12-14,17-19H2,1-2H3,(H,28,29)
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1.25E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302756
PNG
(4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-22(11-9-21)32(24-6-5-7-25(33)20-24)23-12-17-30(18-13-23)19-14-26-28-15-16-29-26/h5-11,15-16,20,23,33H,3-4,12-14,17-19H2,1-2H3,(H,28,29)
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n/an/an/an/a 1.20n/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair