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6 similar compounds to monomer 50008898

Compile data set for download or QSAR
Wt: 354.4
BDBM50008896
Wt: 314.4
BDBM50008893
Wt: 354.4
BDBM50008895
Wt: 354.4
BDBM50007164
Wt: 569.6
BDBM50094164
Wt: 555.5
BDBM50094173

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50008896,50008893,50008895,50007164,50094164,50094173   
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


(Cavia porcellus (domestic guinea pig))
BDBM50008895
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-tr...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)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
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0.570n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 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))
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


(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))
BDBM50008895
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-tr...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)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
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0.780n/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))
BDBM50008893
PNG
(2-(3,4-Dimethyl-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1C
Show InChI InChI=1S/C20H30N2O/c1-16-8-9-18(13-17(16)2)14-20(23)22-12-4-3-7-19(22)15-21-10-5-6-11-21/h8-9,13,19H,3-7,10-12,14-15H2,1-2H3
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1.80n/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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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)
BDBM50008895
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-tr...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)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
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2.34E+3n/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)
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)
BDBM50008895
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-tr...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)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
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3.52E+3n/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)
BDBM50008893
PNG
(2-(3,4-Dimethyl-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1C
Show InChI InChI=1S/C20H30N2O/c1-16-8-9-18(13-17(16)2)14-20(23)22-12-4-3-7-19(22)15-21-10-5-6-11-21/h8-9,13,19H,3-7,10-12,14-15H2,1-2H3
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5.31E+3n/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)
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50094164
PNG
(CHEMBL138727 | N-(2-[1,4']Bipiperidinyl-1'-yl-3-ph...)
Show SMILES CN(CC(Cc1ccccc1)N1CCC(CC1)N1CCCCC1)C(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H37F6N3O/c1-37(28(40)19-23-16-24(29(31,32)33)20-25(17-23)30(34,35)36)21-27(18-22-8-4-2-5-9-22)39-14-10-26(11-15-39)38-12-6-3-7-13-38/h2,4-5,8-9,16-17,20,26-27H,3,6-7,10-15,18-19,21H2,1H3
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n/an/a 32n/an/an/an/an/an/a



Biographics Laboratory 3R

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tachykinin receptor 1


J Med Chem 43: 4416-27 (2000)


Article DOI: 10.1021/jm000986n
BindingDB Entry DOI: 10.7270/Q2F18Z0M
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50094173
PNG
(CHEMBL139198 | N-(2-[1,4']Bipiperidinyl-1'-yl-3-ph...)
Show SMILES FC(F)(F)c1cc(CC(=O)NCC(Cc2ccccc2)N2CCC(CC2)N2CCCCC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H35F6N3O/c30-28(31,32)23-15-22(16-24(19-23)29(33,34)35)18-27(39)36-20-26(17-21-7-3-1-4-8-21)38-13-9-25(10-14-38)37-11-5-2-6-12-37/h1,3-4,7-8,15-16,19,25-26H,2,5-6,9-14,17-18,20H2,(H,36,39)
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n/an/a 81n/an/an/an/an/an/a



Biographics Laboratory 3R

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tachykinin receptor 1


J Med Chem 43: 4416-27 (2000)


Article DOI: 10.1021/jm000986n
BindingDB Entry DOI: 10.7270/Q2F18Z0M
More data for this
Ligand-Target Pair