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SMILES: CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC2CC2)CC1)c1ccccc1

InChI Key: InChIKey=ZURGORQLJYCBIM-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50092686   
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))
BDBM50092686
PNG
(4-[(4-Cyclopropylmethyl-piperazin-1-yl)-phenyl-met...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC2CC2)CC1)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-3-28(4-2)26(30)24-14-12-23(13-15-24)25(22-8-6-5-7-9-22)29-18-16-27(17-19-29)20-21-10-11-21/h5-9,12-15,21,25H,3-4,10-11,16-20H2,1-2H3
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PC cid
PC sid
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PubMed
n/an/a 35n/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))
BDBM50092686
PNG
(4-[(4-Cyclopropylmethyl-piperazin-1-yl)-phenyl-met...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC2CC2)CC1)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-3-28(4-2)26(30)24-14-12-23(13-15-24)25(22-8-6-5-7-9-22)29-18-16-27(17-19-29)20-21-10-11-21/h5-9,12-15,21,25H,3-4,10-11,16-20H2,1-2H3
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n/an/a>5.60E+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)


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


(Homo sapiens (Human))
BDBM50092686
PNG
(4-[(4-Cyclopropylmethyl-piperazin-1-yl)-phenyl-met...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC2CC2)CC1)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-3-28(4-2)26(30)24-14-12-23(13-15-24)25(22-8-6-5-7-9-22)29-18-16-27(17-19-29)20-21-10-11-21/h5-9,12-15,21,25H,3-4,10-11,16-20H2,1-2H3
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n/an/a 2.40E+3n/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