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BDBM50299387 4-((1-benzylpiperidin-4-yl)(2-carbamoylphenyl)amino)-N,N-diethylbenzamide::CHEMBL573517

SMILES: CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1C(N)=O

InChI Key: InChIKey=GXTDUMFWGMMKCR-UHFFFAOYSA-N

Data: 3 KI

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

Found 3 hits for monomerid = 50299387   
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))
BDBM50299387
PNG
(4-((1-benzylpiperidin-4-yl)(2-carbamoylphenyl)amin...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1C(N)=O
Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-14-16-25(17-15-24)34(28-13-9-8-12-27(28)29(31)35)26-18-20-32(21-19-26)22-23-10-6-5-7-11-23/h5-17,26H,3-4,18-22H2,1-2H3,(H2,31,35)
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PC cid
PC sid
UniChem
Article
PubMed
38n/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: 5999-6003 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.068
BindingDB Entry DOI: 10.7270/Q2XP7512
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299387
PNG
(4-((1-benzylpiperidin-4-yl)(2-carbamoylphenyl)amin...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1C(N)=O
Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-14-16-25(17-15-24)34(28-13-9-8-12-27(28)29(31)35)26-18-20-32(21-19-26)22-23-10-6-5-7-11-23/h5-17,26H,3-4,18-22H2,1-2H3,(H2,31,35)
PDB

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5.04E+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: 5999-6003 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.068
BindingDB Entry DOI: 10.7270/Q2XP7512
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299387
PNG
(4-((1-benzylpiperidin-4-yl)(2-carbamoylphenyl)amin...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1C(N)=O
Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-14-16-25(17-15-24)34(28-13-9-8-12-27(28)29(31)35)26-18-20-32(21-19-26)22-23-10-6-5-7-11-23/h5-17,26H,3-4,18-22H2,1-2H3,(H2,31,35)
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PC sid
UniChem
Article
PubMed
>1.00E+4n/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: 5999-6003 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.068
BindingDB Entry DOI: 10.7270/Q2XP7512
More data for this
Ligand-Target Pair