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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%