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6 similar compounds to monomer 50008895

Compile data set for download or QSAR
Wt: 354.4
BDBM50008896
Wt: 354.4
BDBM50008898
Wt: 300.4
BDBM50008894
Wt: 356.4
BDBM50007368
Wt: 354.4
BDBM50007164
Wt: 300.4
BDBM50013988
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50008896,50008898,50008894,50007368,50007164,50013988   
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
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


Article DOI: 10.1021/jm00047a006
BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008898
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(3-tr...)
Show SMILES FC(F)(F)c1cccc(CC(=O)N2CCCCC2CN2CCCC2)c1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-7-5-6-15(12-16)13-18(25)24-11-2-1-8-17(24)14-23-9-3-4-10-23/h5-7,12,17H,1-4,8-11,13-14H2
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1.10n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008894
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-p-tol...)
Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H28N2O/c1-16-7-9-17(10-8-16)14-19(22)21-13-3-2-6-18(21)15-20-11-4-5-12-20/h7-10,18H,2-6,11-15H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008896
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(2-tr...)
Show SMILES FC(F)(F)c1ccccc1CC(=O)N1CCCCC1CN1CCCC1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)17-9-2-1-7-15(17)13-18(25)24-12-4-3-8-16(24)14-23-10-5-6-11-23/h1-2,7,9,16H,3-6,8,10-14H2
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8.5n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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Reactome pathway
KEGG

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1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured on opioid receptor delta sites.


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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2.34E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008896
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(2-tr...)
Show SMILES FC(F)(F)c1ccccc1CC(=O)N1CCCCC1CN1CCCC1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)17-9-2-1-7-15(17)13-18(25)24-12-4-3-8-16(24)14-23-10-5-6-11-23/h1-2,7,9,16H,3-6,8,10-14H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008894
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-p-tol...)
Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H28N2O/c1-16-7-9-17(10-8-16)14-19(22)21-13-3-2-6-18(21)15-20-11-4-5-12-20/h7-10,18H,2-6,11-15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008898
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(3-tr...)
Show SMILES FC(F)(F)c1cccc(CC(=O)N2CCCCC2CN2CCCC2)c1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-7-5-6-15(12-16)13-18(25)24-11-2-1-8-17(24)14-23-9-3-4-10-23/h5-7,12,17H,1-4,8-11,13-14H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013988
PNG
(N-Methyl-2-phenyl-N-(2-pyrrolidin-1-yl-cyclohexyl)...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C19H28N2O/c1-20(19(22)15-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17?,18-/m0/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


Article DOI: 10.1021/jm00173a030
BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007368
PNG
(CHEMBL324682 | N-Methyl-N-(2-methyl-1-pyrrolidin-1...)
Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H27F3N2O/c1-14(2)17(13-24-10-4-5-11-24)23(3)18(25)12-15-6-8-16(9-7-15)19(20,21)22/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand


J Med Chem 34: 3149-58 (1991)


Article DOI: 10.1021/jm00115a001
BindingDB Entry DOI: 10.7270/Q2028S53
More data for this
Ligand-Target Pair