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PubMed code 1310743

Compile data set for download or QSAR
Found 38 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))
BDBM50000293
PNG
(2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCC3(CC2CN2CCCC2)OCCO3)cc1Cl
Show InChI InChI=1S/C20H26Cl2N2O3/c21-17-4-3-15(11-18(17)22)12-19(25)24-8-5-20(26-9-10-27-20)13-16(24)14-23-6-1-2-7-23/h3-4,11,16H,1-2,5-10,12-14H2
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n/an/a 0.100n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000288
PNG
((1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CC\C(C2)=C\C#N)cc1Cl
Show InChI InChI=1S/C20H23Cl2N3O/c21-18-5-4-16(11-19(18)22)12-20(26)25-9-2-1-3-17(25)14-24-10-7-15(13-24)6-8-23/h4-6,11,17H,1-3,7,9-10,12-14H2/b15-6-
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n/an/a 0.120n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000271
PNG
(1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2-...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=O)C2)cc1Cl
Show InChI InChI=1S/C18H22Cl2N2O2/c19-16-5-4-13(9-17(16)20)10-18(24)22-7-2-1-3-14(22)11-21-8-6-15(23)12-21/h4-5,9,14H,1-3,6-8,10-12H2
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n/an/a 0.200n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000260
PNG
(2-(3,4-Dichloro-phenyl)-1-[2-(3-hydroxy-pyrrolidin...)
Show SMILES OC1CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C18H24Cl2N2O2/c19-16-5-4-13(9-17(16)20)10-18(24)22-7-2-1-3-14(22)11-21-8-6-15(23)12-21/h4-5,9,14-15,23H,1-3,6-8,10-12H2
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n/an/a 0.880n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000284
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-methyl-6-pyrrolidin-1...)
Show SMILES C[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O/c1-14-5-4-6-16(13-22-9-2-3-10-22)23(14)19(24)12-15-7-8-17(20)18(21)11-15/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3/t14-,16-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000292
PNG
(2-(3,4-Dichloro-phenyl)-1-[2-(2,5-dihydro-pyrrol-1...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CC=CC2)cc1Cl
Show InChI InChI=1S/C18H22Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h3-4,6-7,11,15H,1-2,5,8-10,12-13H2
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n/an/a 3.5n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000274
PNG
((1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2...)
Show SMILES COC(=O)\C=C1\CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C21H26Cl2N2O3/c1-28-21(27)12-16-7-9-24(13-16)14-17-4-2-3-8-25(17)20(26)11-15-5-6-18(22)19(23)10-15/h5-6,10,12,17H,2-4,7-9,11,13-14H2,1H3/b16-12-
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n/an/a 4.70n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000286
PNG
(2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCC3(CC2CN2CCCC2)SCCS3)cc1Cl
Show InChI InChI=1S/C20H26Cl2N2OS2/c21-17-4-3-15(11-18(17)22)12-19(25)24-8-5-20(26-9-10-27-20)13-16(24)14-23-6-1-2-7-23/h3-4,11,16H,1-2,5-10,12-14H2
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n/an/a 5n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000297
PNG
(2-(3,4-Dichloro-phenyl)-1-[2-(3,6-dihydro-2H-pyrid...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCC=CC2)cc1Cl
Show InChI InChI=1S/C19H24Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h1,3,7-8,12,16H,2,4-6,9-11,13-14H2
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n/an/a 6.30n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000287
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2
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n/an/a 11n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Kappa-opioid receptor agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000285
PNG
(1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2-...)
Show SMILES COC(=O)C1=CCCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C21H26Cl2N2O3/c1-28-21(27)16-5-4-9-24(13-16)14-17-6-2-3-10-25(17)20(26)12-15-7-8-18(22)19(23)11-15/h5,7-8,11,17H,2-4,6,9-10,12-14H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000273
PNG
(2-(3,4-Dichloro-phenyl)-1-[2-(3-methylene-pyrrolid...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=C)C2)cc1Cl
Show InChI InChI=1S/C19H24Cl2N2O/c1-14-7-9-22(12-14)13-16-4-2-3-8-23(16)19(24)11-15-5-6-17(20)18(21)10-15/h5-6,10,16H,1-4,7-9,11-13H2
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n/an/a 29n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000275
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-2-pyrrolidin-1-...)
Show SMILES Clc1ccc(CC(=O)N2CCC(=O)CC2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H22Cl2N2O2/c19-16-4-3-13(9-17(16)20)10-18(24)22-8-5-15(23)11-14(22)12-21-6-1-2-7-21/h3-4,9,14H,1-2,5-8,10-12H2
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n/an/a 46n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000272
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-methyl-6-pyrrolidin-1...)
Show SMILES C[C@@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O/c1-14-5-4-6-16(13-22-9-2-3-10-22)23(14)19(24)12-15-7-8-17(20)18(21)11-15/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3/t14-,16+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000282
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-isoxazolidin-2-ylmeth...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCO2)cc1Cl
Show InChI InChI=1S/C17H22Cl2N2O2/c18-15-6-5-13(10-16(15)19)11-17(22)21-8-2-1-4-14(21)12-20-7-3-9-23-20/h5-6,10,14H,1-4,7-9,11-12H2
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n/an/a 69n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000267
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-dimethylaminomethyl-p...)
Show SMILES CN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3
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n/an/a 102n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000289
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-6-pyrrolidin-1-...)
Show SMILES COC(=O)[C@@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H26Cl2N2O3/c1-27-20(26)18-6-4-5-15(13-23-9-2-3-10-23)24(18)19(25)12-14-7-8-16(21)17(22)11-14/h7-8,11,15,18H,2-6,9-10,12-13H2,1H3/t15-,18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000295
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-hydroxy-2-pyrrolidin-...)
Show SMILES O[C@@H]1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O2/c19-16-4-3-13(9-17(16)20)10-18(24)22-8-5-15(23)11-14(22)12-21-6-1-2-7-21/h3-4,9,14-15,23H,1-2,5-8,10-12H2/t14-,15+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000263
PNG
(2-(3,4-Dichloro-phenyl)-1-(8-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CC3(CC[C@H]2CN2CCCC2)OCCO3)cc1Cl
Show InChI InChI=1S/C20H26Cl2N2O3/c21-17-4-3-15(11-18(17)22)12-19(25)24-14-20(26-9-10-27-20)6-5-16(24)13-23-7-1-2-8-23/h3-4,11,16H,1-2,5-10,12-14H2/t16-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000268
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-2-pyrrolidin-1-...)
Show SMILES COC(=O)[C@@H]1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H26Cl2N2O3/c1-27-20(26)15-6-9-24(16(12-15)13-23-7-2-3-8-23)19(25)11-14-4-5-17(21)18(22)10-14/h4-5,10,15-16H,2-3,6-9,11-13H2,1H3/t15-,16+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000278
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-piperidin-1-ylmethyl-...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCCC2)cc1Cl
Show InChI InChI=1S/C19H26Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h7-8,12,16H,1-6,9-11,13-14H2
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n/an/a 260n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000269
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-6-pyrrolidin-1-...)
Show SMILES COC(=O)[C@H]1CC[C@@H](CN2CCCC2)N(C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H26Cl2N2O3/c1-27-20(26)15-5-6-16(13-23-8-2-3-9-23)24(12-15)19(25)11-14-4-7-17(21)18(22)10-14/h4,7,10,15-16H,2-3,5-6,8-9,11-13H2,1H3/t15-,16-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000283
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-6-pyrrolidin-1-...)
Show SMILES Clc1ccc(CC(=O)N2CC(=O)CC[C@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H22Cl2N2O2/c19-16-6-3-13(9-17(16)20)10-18(24)22-12-15(23)5-4-14(22)11-21-7-1-2-8-21/h3,6,9,14H,1-2,4-5,7-8,10-12H2/t14-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000280
PNG
(2-(3,4-Dichloro-phenyl)-1-[2-(4-methylene-piperidi...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=C)CC2)cc1Cl
Show InChI InChI=1S/C20H26Cl2N2O/c1-15-7-10-23(11-8-15)14-17-4-2-3-9-24(17)20(25)13-16-5-6-18(21)19(22)12-16/h5-6,12,17H,1-4,7-11,13-14H2
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n/an/a 550n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000270
PNG
(2-(3,4-Dichloro-phenyl)-1-(3-hydroxy-2-pyrrolidin-...)
Show SMILES O[C@@H]1CCCN([C@@H]1CN1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O2/c19-14-6-5-13(10-15(14)20)11-18(24)22-9-3-4-17(23)16(22)12-21-7-1-2-8-21/h5-6,10,16-17,23H,1-4,7-9,11-12H2/t16-,17-/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000276
PNG
((1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CC\C(C2)=C/C#N)cc1Cl
Show InChI InChI=1S/C20H23Cl2N3O/c21-18-5-4-16(11-19(18)22)12-20(26)25-9-2-1-3-17(25)14-24-10-7-15(13-24)6-8-23/h4-6,11,17H,1-3,7,9-10,12-14H2/b15-6+
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n/an/a 690n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000264
PNG
(2-(3,4-Dichloro-phenyl)-1-(3-hydroxy-2-pyrrolidin-...)
Show SMILES O[C@H]1CCCN([C@@H]1CN1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O2/c19-14-6-5-13(10-15(14)20)11-18(24)22-9-3-4-17(23)16(22)12-21-7-1-2-8-21/h5-6,10,16-17,23H,1-4,7-9,11-12H2/t16-,17+/m1/s1
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n/an/a 970n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000265
PNG
((1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2...)
Show SMILES COC(=O)\C=C1/CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C21H26Cl2N2O3/c1-28-21(27)12-16-7-9-24(13-16)14-17-4-2-3-8-25(17)20(26)11-15-5-6-18(22)19(23)10-15/h5-6,10,12,17H,2-4,7-9,11,13-14H2,1H3/b16-12+
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n/an/a 1.02E+3n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000262
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-2-pyrrolidin-1-...)
Show SMILES NC(=O)[C@@H]1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H25Cl2N3O2/c20-16-4-3-13(9-17(16)21)10-18(25)24-8-5-14(19(22)26)11-15(24)12-23-6-1-2-7-23/h3-4,9,14-15H,1-2,5-8,10-12H2,(H2,22,26)/t14-,15+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000290
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-hydroxy-2-pyrrolidin-...)
Show SMILES O[C@H]1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O2/c19-16-4-3-13(9-17(16)20)10-18(24)22-8-5-15(23)11-14(22)12-21-6-1-2-7-21/h3-4,9,14-15,23H,1-2,5-8,10-12H2/t14-,15-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000294
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-2-pyrrolidin-1-...)
Show SMILES Clc1ccc(CC(=O)N2CCCC(=O)C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H22Cl2N2O2/c19-14-6-5-13(10-15(14)20)11-18(24)22-9-3-4-17(23)16(22)12-21-7-1-2-8-21/h5-6,10,16H,1-4,7-9,11-12H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000261
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-hydroxymethyl-6-pyrro...)
Show SMILES OC[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O2/c20-17-7-6-14(10-18(17)21)11-19(25)23-15(4-3-5-16(23)13-24)12-22-8-1-2-9-22/h6-7,10,15-16,24H,1-5,8-9,11-13H2/t15-,16+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000277
PNG
(1-(2-Allyl-2-pyrrolidin-1-ylmethyl-piperidin-1-yl)...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2(CC=C)CN2CCCC2)cc1Cl
Show InChI InChI=1S/C21H28Cl2N2O/c1-2-9-21(16-24-11-5-6-12-24)10-3-4-13-25(21)20(26)15-17-7-8-18(22)19(23)14-17/h2,7-8,14H,1,3-6,9-13,15-16H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000279
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-6-pyrrolidin-1-...)
Show SMILES NC(=O)[C@H]1CC[C@@H](CN2CCCC2)N(C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H25Cl2N3O2/c20-16-6-3-13(9-17(16)21)10-18(25)24-11-14(19(22)26)4-5-15(24)12-23-7-1-2-8-23/h3,6,9,14-15H,1-2,4-5,7-8,10-12H2,(H2,22,26)/t14-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000291
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-6-pyrrolidin-1-...)
Show SMILES NC(=O)[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H25Cl2N3O2/c20-15-7-6-13(10-16(15)21)11-18(25)24-14(12-23-8-1-2-9-23)4-3-5-17(24)19(22)26/h6-7,10,14,17H,1-5,8-9,11-12H2,(H2,22,26)/t14-,17+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000281
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-methyl-2-pyrrolidin-1...)
Show SMILES CC1(CN2CCCC2)CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O/c1-19(14-22-9-4-5-10-22)8-2-3-11-23(19)18(24)13-15-6-7-16(20)17(21)12-15/h6-7,12H,2-5,8-11,13-14H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000266
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-6-pyrrolidin-1-...)
Show SMILES COC(=O)[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H26Cl2N2O3/c1-27-20(26)18-6-4-5-15(13-23-9-2-3-10-23)24(18)19(25)12-14-7-8-16(21)17(22)11-14/h7-8,11,15,18H,2-6,9-10,12-13H2,1H3/t15-,18+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation


J Med Chem 35: 490-501 (1992)


Article DOI: 10.1021/jm00081a009
BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%