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PubMed code 15686919

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50093965
PNG
(CHEMBL86324 | N-Methyl-N-((S)-1-phenyl-2-pyrrolidi...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O/c1-26(21(28)15-17-9-11-19(12-10-17)22(23,24)25)20(16-27-13-5-6-14-27)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3/t20-/m1/s1
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0.0580n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50160834
PNG
(CHEMBL183248 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N3O/c1-27(21(29)13-16-7-9-18(10-8-16)22(23,24)25)20(15-28-11-2-3-12-28)17-5-4-6-19(26)14-17/h4-10,14,20H,2-3,11-13,15,26H2,1H3/t20-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50160840
PNG
(CHEMBL365486 | N-[(S)-1-(3-Methanesulfonylamino-ph...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NS(C)(=O)=O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H28F3N3O3S/c1-28(22(30)14-17-8-10-19(11-9-17)23(24,25)26)21(16-29-12-3-4-13-29)18-6-5-7-20(15-18)27-33(2,31)32/h5-11,15,21,27H,3-4,12-14,16H2,1-2H3/t21-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50160832
PNG
(CHEMBL181279 | N-[1-(3-Hydroxy-phenyl)-2-pyrrolidi...)
Show SMILES CN(C(CN1CCCC1)c1cccc(O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O2/c1-26(21(29)13-16-7-9-18(10-8-16)22(23,24)25)20(15-27-11-2-3-12-27)17-5-4-6-19(28)14-17/h4-10,14,20,28H,2-3,11-13,15H2,1H3
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0.440n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50160842
PNG
(CHEMBL362248 | N-[(S)-1-(3-aminosulfonylamino-phen...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NS(N)(=O)=O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N4O3S/c1-28(21(30)13-16-7-9-18(10-8-16)22(23,24)25)20(15-29-11-2-3-12-29)17-5-4-6-19(14-17)27-33(26,31)32/h4-10,14,20,27H,2-3,11-13,15H2,1H3,(H2,26,31,32)/t20-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50160836
PNG
(CHEMBL180803 | N-[1-(3-Methoxy-phenyl)-2-pyrrolidi...)
Show SMILES COc1cccc(c1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N2O2/c1-27(22(29)14-17-8-10-19(11-9-17)23(24,25)26)21(16-28-12-3-4-13-28)18-6-5-7-20(15-18)30-2/h5-11,15,21H,3-4,12-14,16H2,1-2H3
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0.530n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50160838
PNG
(CHEMBL365198 | N-Methyl-N-[(S)-1-(3-nitro-phenyl)-...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)[N+]([O-])=O)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N3O3/c1-26(21(29)13-16-7-9-18(10-8-16)22(23,24)25)20(15-27-11-2-3-12-27)17-5-4-6-19(14-17)28(30)31/h4-10,14,20H,2-3,11-13,15H2,1H3/t20-/m1/s1
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0.630n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM83435
PNG
(2-[3-[1-[2-(3,4-dichlorophenyl)ethanoyl-methyl-ami...)
Show SMILES CN(C(CN1CCCC1)c1cccc(OCC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O4/c1-26(22(28)12-16-7-8-19(24)20(25)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)31-15-23(29)30/h4-8,11,13,21H,2-3,9-10,12,14-15H2,1H3,(H,29,30)
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2.69n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50160833
PNG
(CHEMBL360678 | [3-(1-{Methyl-[2-(4-trifluoromethyl...)
Show SMILES CN(C(CN1CCCC1)c1cccc(OCC(=O)OC(C)(C)C)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H35F3N2O4/c1-27(2,3)37-26(35)19-36-23-9-7-8-21(17-23)24(18-33-14-5-6-15-33)32(4)25(34)16-20-10-12-22(13-11-20)28(29,30)31/h7-13,17,24H,5-6,14-16,18-19H2,1-4H3
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2.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50160835
PNG
(CHEMBL185554 | [3-(1-{Methyl-[2-(4-trifluoromethyl...)
Show SMILES CN(C(CN1CCCC1)c1cccc(OCC(O)=O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O4/c1-28(22(30)13-17-7-9-19(10-8-17)24(25,26)27)21(15-29-11-2-3-12-29)18-5-4-6-20(14-18)33-16-23(31)32/h4-10,14,21H,2-3,11-13,15-16H2,1H3,(H,31,32)
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3.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50160839
PNG
(CHEMBL181922 | N-[3-((S)-1-{Methyl-[2-(4-trifluoro...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=O)CCC(O)=O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H30F3N3O4/c1-31(24(34)15-18-7-9-20(10-8-18)26(27,28)29)22(17-32-13-2-3-14-32)19-5-4-6-21(16-19)30-23(33)11-12-25(35)36/h4-10,16,22H,2-3,11-15,17H2,1H3,(H,30,33)(H,35,36)/t22-/m1/s1
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9.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50160841
PNG
(CHEMBL362458 | {Carboxymethyl-[3-((S)-1-{methyl-[2...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)N(CC(O)=O)CC(O)=O)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H30F3N3O5/c1-30(23(33)13-18-7-9-20(10-8-18)26(27,28)29)22(15-31-11-2-3-12-31)19-5-4-6-21(14-19)32(16-24(34)35)17-25(36)37/h4-10,14,22H,2-3,11-13,15-17H2,1H3,(H,34,35)(H,36,37)/t22-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor


Bioorg Med Chem Lett 15: 1091-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.018
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%