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BDBM50302778 CHEMBL570448::N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(1-methyl-1H-imidazol-2-yl)ethyl)piperidin-4-yl)amino)benzamide

SMILES: CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2nccn2C)CC1)c1cccc(O)c1

InChI Key: InChIKey=WCLDGXPGWHNEMF-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50302778   
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))
BDBM50302778
PNG
(CHEMBL570448 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2nccn2C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H37N5O2/c1-4-32(5-2)28(35)22-9-11-23(12-10-22)33(25-7-6-8-26(34)21-25)24-13-17-31(18-14-24)19-15-27-29-16-20-30(27)3/h6-12,16,20-21,24,34H,4-5,13-15,17-19H2,1-3H3
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Similars

Article
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1.70n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50302778
PNG
(CHEMBL570448 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2nccn2C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H37N5O2/c1-4-32(5-2)28(35)22-9-11-23(12-10-22)33(25-7-6-8-26(34)21-25)24-13-17-31(18-14-24)19-15-27-29-16-20-30(27)3/h6-12,16,20-21,24,34H,4-5,13-15,17-19H2,1-3H3
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PubMed
772n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50302778
PNG
(CHEMBL570448 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2nccn2C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H37N5O2/c1-4-32(5-2)28(35)22-9-11-23(12-10-22)33(25-7-6-8-26(34)21-25)24-13-17-31(18-14-24)19-15-27-29-16-20-30(27)3/h6-12,16,20-21,24,34H,4-5,13-15,17-19H2,1-3H3
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4.60E+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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302778
PNG
(CHEMBL570448 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2nccn2C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H37N5O2/c1-4-32(5-2)28(35)22-9-11-23(12-10-22)33(25-7-6-8-26(34)21-25)24-13-17-31(18-14-24)19-15-27-29-16-20-30(27)3/h6-12,16,20-21,24,34H,4-5,13-15,17-19H2,1-3H3
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n/an/an/an/a 15n/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