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PubMed code 1659636

Compile data set for download or QSAR
Found 51 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
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007346
PNG
(CHEMBL323472 | N-[1-(3-Acetylamino-phenyl)-2-pyrro...)
Show SMILES CN(C(CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)
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n/an/a 5.5n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007355
PNG
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1...)
Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H26Cl2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h6-7,10,13,17H,4-5,8-9,11-12H2,1-3H3/t17-/m1/s1
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n/an/a 6.90n/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.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007344
PNG
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
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n/an/a 6.90n/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.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007351
PNG
(CHEMBL326899 | N-[2-(Allyl-methyl-amino)-1-phenyl-...)
Show SMILES CN(CC=C)C[C@@H](N(C)C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C21H24Cl2N2O/c1-4-12-24(2)15-20(17-8-6-5-7-9-17)25(3)21(26)14-16-10-11-18(22)19(23)13-16/h4-11,13,20H,1,12,14-15H2,2-3H3/t20-/m1/s1
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n/an/a 8.20n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007375
PNG
(2-(3,4-Dichloro-phenyl)-N-[1-(4-hydroxy-phenyl)-2-...)
Show SMILES CN(C(CN1CCCC1)c1ccc(O)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-24(21(27)13-15-4-9-18(22)19(23)12-15)20(14-25-10-2-3-11-25)16-5-7-17(26)8-6-16/h4-9,12,20,26H,2-3,10-11,13-14H2,1H3
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n/an/a 9.80n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007374
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1-pyr...)
Show SMILES CCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H28Cl2N2O/c1-4-14(2)18(13-23-9-5-6-10-23)22(3)19(24)12-15-7-8-16(20)17(21)11-15/h7-8,11,14,18H,4-6,9-10,12-13H2,1-3H3/t14?,18-/m1/s1
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n/an/a 10n/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.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007367
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1-pip...)
Show SMILES CC(C)[C@@H](CN1CCCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H28Cl2N2O/c1-14(2)18(13-23-9-5-4-6-10-23)22(3)19(24)12-15-7-8-16(20)17(21)11-15/h7-8,11,14,18H,4-6,9-10,12-13H2,1-3H3/t18-/m1/s1
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n/an/a 11n/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.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007340
PNG
(2-(3,4-Dichloro-phenyl)-N-[2-(2,5-dihydro-pyrrol-1...)
Show SMILES CN([C@H](CN1CC=CC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H22Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-10,13,20H,11-12,14-15H2,1H3/t20-/m1/s1
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n/an/a 11n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007377
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyr...)
Show SMILES CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3
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n/an/a 12n/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.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007362
PNG
(2-(3,4-Dichloro-phenyl)-N-[1-(3-hydroxy-phenyl)-2-...)
Show SMILES CN(C(CN1CCCC1)c1cccc(O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-24(21(27)12-15-7-8-18(22)19(23)11-15)20(14-25-9-2-3-10-25)16-5-4-6-17(26)13-16/h4-8,11,13,20,26H,2-3,9-10,12,14H2,1H3
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n/an/a 12n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa 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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007383
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-methyl-1-pyr...)
Show SMILES CC(C)C[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H28Cl2N2O/c1-14(2)10-16(13-23-8-4-5-9-23)22(3)19(24)12-15-6-7-17(20)18(21)11-15/h6-7,11,14,16H,4-5,8-10,12-13H2,1-3H3/t16-/m0/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.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007336
PNG
(CHEMBL106760 | N-[1-(3-Amino-phenyl)-2-pyrrolidin-...)
Show SMILES CN(C(CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)12-15-7-8-18(22)19(23)11-15)20(14-26-9-2-3-10-26)16-5-4-6-17(24)13-16/h4-8,11,13,20H,2-3,9-10,12,14,24H2,1H3
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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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007372
PNG
(2-(3,4-Dichloro-phenyl)-N-{1-[(isopropyl-methyl-am...)
Show SMILES CC(C)[C@@H](CN(C)C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H28Cl2N2O/c1-12(2)17(11-21(5)13(3)4)22(6)18(23)10-14-7-8-15(19)16(20)9-14/h7-9,12-13,17H,10-11H2,1-6H3/t17-/m1/s1
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n/an/a 15n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007341
PNG
(2-(3,4-Dichloro-phenyl)-N-[1-(2-methoxy-phenyl)-2-...)
Show SMILES COc1ccccc1C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O2/c1-25(22(27)14-16-9-10-18(23)19(24)13-16)20(15-26-11-5-6-12-26)17-7-3-4-8-21(17)28-2/h3-4,7-10,13,20H,5-6,11-12,14-15H2,1-2H3
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n/an/a 17n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007378
PNG
(CHEMBL107543 | N-Methyl-N-(2-methyl-1-pyrrolidin-1...)
Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)COc1ccccc1
Show InChI InChI=1S/C18H28N2O2/c1-15(2)17(13-20-11-7-8-12-20)19(3)18(21)14-22-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3/t17-/m1/s1
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n/an/a 21n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007357
PNG
(2-(3,4-Dichloro-phenyl)-N-[1-(2-hydroxy-phenyl)-2-...)
Show SMILES CN(C(CN1CCCC1)c1ccccc1O)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-24(21(27)13-15-8-9-17(22)18(23)12-15)19(14-25-10-4-5-11-25)16-6-2-3-7-20(16)26/h2-3,6-9,12,19,26H,4-5,10-11,13-14H2,1H3
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n/an/a 22n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007360
PNG
(2-(3,4-Dichloro-phenyl)-N-(2,2-dimethyl-1-pyrrolid...)
Show SMILES CN(C(CN1CCCC1)C(C)(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H28Cl2N2O/c1-19(2,3)17(13-23-9-5-6-10-23)22(4)18(24)12-14-7-8-15(20)16(21)11-14/h7-8,11,17H,5-6,9-10,12-13H2,1-4H3
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007380
PNG
(CHEMBL108376 | N-[1-(3-Cyano-phenyl)-2-pyrrolidin-...)
Show SMILES CN(C(CN1CCCC1)c1cccc(c1)C#N)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H23Cl2N3O/c1-26(22(28)13-16-7-8-19(23)20(24)12-16)21(15-27-9-2-3-10-27)18-6-4-5-17(11-18)14-25/h4-8,11-12,21H,2-3,9-10,13,15H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50281663
PNG
(10-cyclopropylmethyl-1-ethyl-4-hydroxy-13-methyl-(...)
Show SMILES CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m0/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007370
PNG
(2-(3,4-Dichloro-phenyl)-N-[1-(3-methoxy-phenyl)-2-...)
Show SMILES COc1cccc(c1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O2/c1-25(22(27)13-16-8-9-19(23)20(24)12-16)21(15-26-10-3-4-11-26)17-6-5-7-18(14-17)28-2/h5-9,12,14,21H,3-4,10-11,13,15H2,1-2H3
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n/an/a 31n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007350
PNG
(2-(3,4-Dichloro-phenyl)-N-[1-(3,4-dimethoxy-phenyl...)
Show SMILES COc1ccc(cc1OC)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H28Cl2N2O3/c1-26(23(28)13-16-6-8-18(24)19(25)12-16)20(15-27-10-4-5-11-27)17-7-9-21(29-2)22(14-17)30-3/h6-9,12,14,20H,4-5,10-11,13,15H2,1-3H3
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n/an/a 33n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007365
PNG
(2-(4-Chloro-phenyl)-N-methyl-N-(2-methyl-1-pyrroli...)
Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H27ClN2O/c1-14(2)17(13-21-10-4-5-11-21)20(3)18(22)12-15-6-8-16(19)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007354
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-pyrrolidin-1...)
Show SMILES CCC[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H26Cl2N2O/c1-3-6-15(13-22-9-4-5-10-22)21(2)18(23)12-14-7-8-16(19)17(20)11-14/h7-8,11,15H,3-6,9-10,12-13H2,1-2H3/t15-/m0/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007364
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-[1-(3-methylami...)
Show SMILES CNc1cccc(c1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H27Cl2N3O/c1-25-18-7-5-6-17(14-18)21(15-27-10-3-4-11-27)26(2)22(28)13-16-8-9-19(23)20(24)12-16/h5-9,12,14,21,25H,3-4,10-11,13,15H2,1-2H3
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007361
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-methyl-2-pyr...)
Show SMILES C[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N2O/c1-12(11-20-7-3-4-8-20)19(2)16(21)10-13-5-6-14(17)15(18)9-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3/t12-/m0/s1
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n/an/a 53n/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.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007369
PNG
(CHEMBL110924 | N-[1-(3-Chloro-phenyl)-2-pyrrolidin...)
Show SMILES CN(C(CN1CCCC1)c1cccc(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H23Cl3N2O/c1-25(21(27)12-15-7-8-18(23)19(24)11-15)20(14-26-9-2-3-10-26)16-5-4-6-17(22)13-16/h4-8,11,13,20H,2-3,9-10,12,14H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007376
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-pyrrolidin-1...)
Show SMILES CC[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H24Cl2N2O/c1-3-14(12-21-8-4-5-9-21)20(2)17(22)11-13-6-7-15(18)16(19)10-13/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3/t14-/m0/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007349
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-{2-methyl-1-[(m...)
Show SMILES CCCN(C)C[C@H](C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H28Cl2N2O/c1-6-9-21(4)12-17(13(2)3)22(5)18(23)11-14-7-8-15(19)16(20)10-14/h7-8,10,13,17H,6,9,11-12H2,1-5H3/t17-/m1/s1
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n/an/a 71n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007352
PNG
(2-(3,4-Dichloro-phenyl)-N-[1-(4-methoxy-phenyl)-2-...)
Show SMILES COc1ccc(cc1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O2/c1-25(22(27)14-16-5-10-19(23)20(24)13-16)21(15-26-11-3-4-12-26)17-6-8-18(28-2)9-7-17/h5-10,13,21H,3-4,11-12,14-15H2,1-2H3
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n/an/a 73n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007353
PNG
(2-(3,4-Dichloro-phenyl)-N-(1-diethylaminomethyl-2-...)
Show SMILES CCN(CC)C[C@H](C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H28Cl2N2O/c1-6-22(7-2)12-17(13(3)4)21(5)18(23)11-14-8-9-15(19)16(20)10-14/h8-10,13,17H,6-7,11-12H2,1-5H3/t17-/m1/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007381
PNG
(CHEMBL107780 | N-Methyl-N-(2-methyl-1-pyrrolidin-1...)
Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H27N3O3/c1-14(2)17(13-20-10-4-5-11-20)19(3)18(22)12-15-6-8-16(9-7-15)21(23)24/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m1/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
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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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007359
PNG
(2-(3-Chloro-phenyl)-N-methyl-N-(2-methyl-1-pyrroli...)
Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H27ClN2O/c1-14(2)17(13-21-9-4-5-10-21)20(3)18(22)12-15-7-6-8-16(19)11-15/h6-8,11,14,17H,4-5,9-10,12-13H2,1-3H3/t17-/m1/s1
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n/an/a 99n/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.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007347
PNG
(2-(3,4-Difluoro-phenyl)-N-methyl-N-(2-methyl-1-pyr...)
Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C18H26F2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h6-7,10,13,17H,4-5,8-9,11-12H2,1-3H3/t17-/m1/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007382
PNG
(2-(3,4-Dichloro-phenyl)-N-(1-dimethylaminomethyl-2...)
Show SMILES CC(C)[C@@H](CN(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H24Cl2N2O/c1-11(2)15(10-19(3)4)20(5)16(21)9-12-6-7-13(17)14(18)8-12/h6-8,11,15H,9-10H2,1-5H3/t15-/m1/s1
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n/an/a 105n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007373
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-[1-(4-methylsul...)
Show SMILES CSc1ccc(cc1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2OS/c1-25(22(27)14-16-5-10-19(23)20(24)13-16)21(15-26-11-3-4-12-26)17-6-8-18(28-2)9-7-17/h5-10,13,21H,3-4,11-12,14-15H2,1-2H3
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n/an/a 124n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007363
PNG
(CHEMBL110835 | N-Methyl-N-(2-methyl-1-pyrrolidin-1...)
Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)CSc1ccccc1
Show InChI InChI=1S/C18H28N2OS/c1-15(2)17(13-20-11-7-8-12-20)19(3)18(21)14-22-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3/t17-/m1/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007345
PNG
(2-(3,4-Dichloro-phenyl)-N-[1-(2,4-dimethoxy-phenyl...)
Show SMILES COc1ccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c(OC)c1
Show InChI InChI=1S/C23H28Cl2N2O3/c1-26(23(28)13-16-6-9-19(24)20(25)12-16)21(15-27-10-4-5-11-27)18-8-7-17(29-2)14-22(18)30-3/h6-9,12,14,21H,4-5,10-11,13,15H2,1-3H3
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007342
PNG
(2-(4-Cyano-phenyl)-N-methyl-N-(2-methyl-1-pyrrolid...)
Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C19H27N3O/c1-15(2)18(14-22-10-4-5-11-22)21(3)19(23)12-16-6-8-17(13-20)9-7-16/h6-9,15,18H,4-5,10-12,14H2,1-3H3/t18-/m1/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007337
PNG
(CHEMBL106726 | N-Ethyl-N-(2-methyl-1-pyrrolidin-1-...)
Show SMILES CCN([C@H](CN1CCCC1)C(C)C)C(=O)Cc1ccccc1
Show InChI InChI=1S/C19H30N2O/c1-4-21(19(22)14-17-10-6-5-7-11-17)18(16(2)3)15-20-12-8-9-13-20/h5-7,10-11,16,18H,4,8-9,12-15H2,1-3H3/t18-/m1/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007358
PNG
(CHEMBL107652 | N-Methyl-N-(2-methyl-1-pyrrolidin-1...)
Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)CCc1ccccc1
Show InChI InChI=1S/C19H30N2O/c1-16(2)18(15-21-13-7-8-14-21)20(3)19(22)12-11-17-9-5-4-6-10-17/h4-6,9-10,16,18H,7-8,11-15H2,1-3H3/t18-/m1/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007366
PNG
(CHEMBL110834 | N-(2-Methyl-1-pyrrolidin-1-ylmethyl...)
Show SMILES CC(C)[C@@H](CN1CCCC1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H26N2O/c1-14(2)16(13-19-10-6-7-11-19)18-17(20)12-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,18,20)/t16-/m1/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007348
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1-met...)
Show SMILES CNC[C@H](C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H22Cl2N2O/c1-10(2)14(9-18-3)19(4)15(20)8-11-5-6-12(16)13(17)7-11/h5-7,10,14,18H,8-9H2,1-4H3/t14-/m1/s1
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ICI Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007335
PNG
(CHEMBL108393 | N-Methyl-N-(2-methyl-1-pyrrolidin-1...)
Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccccc1
Show InChI InChI=1S/C18H28N2O/c1-15(2)17(14-20-11-7-8-12-20)19(3)18(21)13-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3/t17-/m1/s1
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n/an/a 656n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007379
PNG
(2-(4-Methoxy-phenyl)-N-methyl-N-(2-methyl-1-pyrrol...)
Show SMILES COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)C(C)C)cc1
Show InChI InChI=1S/C19H30N2O2/c1-15(2)18(14-21-11-5-6-12-21)20(3)19(22)13-16-7-9-17(23-4)10-8-16/h7-10,15,18H,5-6,11-14H2,1-4H3/t18-/m1/s1
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n/an/a 909n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007338
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1-pyr...)
Show SMILES CC(C)[C@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H26Cl2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h6-7,10,13,17H,4-5,8-9,11-12H2,1-3H3/t17-/m0/s1
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n/an/a 1.02E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007339
PNG
(CHEMBL109115 | N-(2-Methyl-1-pyrrolidin-1-ylmethyl...)
Show SMILES CCCN([C@H](CN1CCCC1)C(C)C)C(=O)Cc1ccccc1
Show InChI InChI=1S/C20H32N2O/c1-4-12-22(20(23)15-18-10-6-5-7-11-18)19(17(2)3)16-21-13-8-9-14-21/h5-7,10-11,17,19H,4,8-9,12-16H2,1-3H3/t19-/m1/s1
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n/an/a 1.44E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007343
PNG
(CHEMBL327120 | N-{1-[(Benzyl-methyl-amino)-methyl]...)
Show SMILES CC(C)[C@@H](CN(C)Cc1ccccc1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H28Cl2N2O/c1-16(2)21(15-25(3)14-17-8-6-5-7-9-17)26(4)22(27)13-18-10-11-19(23)20(24)12-18/h5-12,16,21H,13-15H2,1-4H3/t21-/m1/s1
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n/an/a 1.61E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 2.39E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007371
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-((R)-1-phenyl-2...)
Show SMILES CN([C@@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m0/s1
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n/an/a 2.75E+3n/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.


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