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PubMed code 1346276

Compile data set for download or QSAR
Found 25 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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001852
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-{2-[(3...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1CNCCCc1ccccc1
Show InChI InChI=1S/C26H37N3O2/c1-19-15-23(30)16-20(2)24(19)17-25(27)26(31)29-14-7-6-12-22(29)18-28-13-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,28,30H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 0.0450n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


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


(Rattus norvegicus (rat))
BDBM50001850
PNG
((S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21+/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


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


(Rattus norvegicus (rat))
BDBM50001848
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](CNCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H33N3O2/c1-16-12-20(27)13-17(2)21(16)14-22(24)23(28)26-18(3)15-25-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,25,27H,7,10-11,14-15,24H2,1-3H3,(H,26,28)/t18-,22?/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


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


(Rattus norvegicus (rat))
BDBM50001846
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](COCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H32N2O3/c1-16-12-20(26)13-17(2)21(16)14-22(24)23(27)25-18(3)15-28-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,26H,7,10-11,14-15,24H2,1-3H3,(H,25,27)/t18-,22?/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


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


(Rattus norvegicus (rat))
BDBM50001849
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-[2-(3-...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1COCCCc1ccccc1
Show InChI InChI=1S/C26H36N2O3/c1-19-15-23(29)16-20(2)24(19)17-25(27)26(30)28-13-7-6-12-22(28)18-31-14-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,29H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 1.62n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


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


(Rattus norvegicus (rat))
BDBM50001845
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[2-hyd...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CO)COCCCc1ccccc1
Show InChI InChI=1S/C23H32N2O4/c1-16-11-20(27)12-17(2)21(16)13-22(24)23(28)25-19(14-26)15-29-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-12,19,22,26-27H,6,9-10,13-15,24H2,1-2H3,(H,25,28)/t19-,22?/m1/s1
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n/an/a 1.67n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001850
PNG
((S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21+/m1/s1
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n/an/a 3.98n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor delta expressed in homogenates of rat brain.


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


(Rattus norvegicus (rat))
BDBM50001851
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-(1-met...)
Show SMILES CC(NC(=O)C(N)Cc1c(C)cc(O)cc1C)\C=C\CCCc1ccccc1
Show InChI InChI=1S/C24H32N2O2/c1-17-14-21(27)15-18(2)22(17)16-23(25)24(28)26-19(3)10-6-4-7-11-20-12-8-5-9-13-20/h5-6,8-10,12-15,19,23,27H,4,7,11,16,25H2,1-3H3,(H,26,28)/b10-6+
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n/an/a 5.40n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


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


(Rattus norvegicus (rat))
BDBM50001853
PNG
(2-Amino-N-(2-fluoro-1-methyl-6-phenyl-hex-2-enyl)-...)
Show SMILES CC(NC(=O)C(N)Cc1c(C)cc(O)cc1C)C(\F)=C\CCCc1ccccc1
Show InChI InChI=1S/C24H31FN2O2/c1-16-13-20(28)14-17(2)21(16)15-23(26)24(29)27-18(3)22(25)12-8-7-11-19-9-5-4-6-10-19/h4-6,9-10,12-14,18,23,28H,7-8,11,15,26H2,1-3H3,(H,27,29)/b22-12-
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n/an/a 6.90n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50001852
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-{2-[(3...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1CNCCCc1ccccc1
Show InChI InChI=1S/C26H37N3O2/c1-19-15-23(30)16-20(2)24(19)17-25(27)26(31)29-14-7-6-12-22(29)18-28-13-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,28,30H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001852
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-{2-[(3...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1CNCCCc1ccccc1
Show InChI InChI=1S/C26H37N3O2/c1-19-15-23(30)16-20(2)24(19)17-25(27)26(31)29-14-7-6-12-22(29)18-28-13-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,28,30H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 12.1n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor delta expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001846
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](COCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H32N2O3/c1-16-12-20(26)13-17(2)21(16)14-22(24)23(27)25-18(3)15-28-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,26H,7,10-11,14-15,24H2,1-3H3,(H,25,27)/t18-,22?/m1/s1
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n/an/a 21n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor delta expressed in homogenates of rat brain.


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


(Rattus norvegicus (rat))
BDBM50001847
PNG
(2-Amino-N-[2-tert-butoxy-1-(3-phenyl-propoxymethyl...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@@H](COCCCc1ccccc1)COC(C)(C)C
Show InChI InChI=1S/C27H40N2O4/c1-19-14-23(30)15-20(2)24(19)16-25(28)26(31)29-22(18-33-27(3,4)5)17-32-13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-15,22,25,30H,9,12-13,16-18,28H2,1-5H3,(H,29,31)/t22-,25?/m0/s1
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n/an/a 33n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001848
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](CNCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H33N3O2/c1-16-12-20(27)13-17(2)21(16)14-22(24)23(28)26-18(3)15-25-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,25,27H,7,10-11,14-15,24H2,1-3H3,(H,26,28)/t18-,22?/m1/s1
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n/an/a 46n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor delta expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001849
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-[2-(3-...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1COCCCc1ccccc1
Show InChI InChI=1S/C26H36N2O3/c1-19-15-23(29)16-20(2)24(19)17-25(27)26(30)28-13-7-6-12-22(28)18-31-14-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,29H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor delta expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001845
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[2-hyd...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CO)COCCCc1ccccc1
Show InChI InChI=1S/C23H32N2O4/c1-16-11-20(27)12-17(2)21(16)13-22(24)23(28)25-19(14-26)15-29-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-12,19,22,26-27H,6,9-10,13-15,24H2,1-2H3,(H,25,28)/t19-,22?/m1/s1
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n/an/a 233n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor delta expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50001849
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-[2-(3-...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1COCCCc1ccccc1
Show InChI InChI=1S/C26H36N2O3/c1-19-15-23(29)16-20(2)24(19)17-25(27)26(30)28-13-7-6-12-22(28)18-31-14-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,29H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 280n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50001848
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](CNCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H33N3O2/c1-16-12-20(27)13-17(2)21(16)14-22(24)23(28)26-18(3)15-25-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,25,27H,7,10-11,14-15,24H2,1-3H3,(H,26,28)/t18-,22?/m1/s1
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n/an/a 330n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001847
PNG
(2-Amino-N-[2-tert-butoxy-1-(3-phenyl-propoxymethyl...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@@H](COCCCc1ccccc1)COC(C)(C)C
Show InChI InChI=1S/C27H40N2O4/c1-19-14-23(30)15-20(2)24(19)16-25(28)26(31)29-22(18-33-27(3,4)5)17-32-13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-15,22,25,30H,9,12-13,16-18,28H2,1-5H3,(H,29,31)/t22-,25?/m0/s1
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n/an/a 340n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor delta expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50001850
PNG
((S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21+/m1/s1
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n/an/a 380n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50001846
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](COCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H32N2O3/c1-16-12-20(26)13-17(2)21(16)14-22(24)23(27)25-18(3)15-28-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,26H,7,10-11,14-15,24H2,1-3H3,(H,25,27)/t18-,22?/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50001851
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-(1-met...)
Show SMILES CC(NC(=O)C(N)Cc1c(C)cc(O)cc1C)\C=C\CCCc1ccccc1
Show InChI InChI=1S/C24H32N2O2/c1-17-14-21(27)15-18(2)22(17)16-23(25)24(28)26-19(3)10-6-4-7-11-20-12-8-5-9-13-20/h5-6,8-10,12-15,19,23,27H,4,7,11,16,25H2,1-3H3,(H,26,28)/b10-6+
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n/an/a 5.40E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50001845
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[2-hyd...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CO)COCCCc1ccccc1
Show InChI InChI=1S/C23H32N2O4/c1-16-11-20(27)12-17(2)21(16)13-22(24)23(28)25-19(14-26)15-29-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-12,19,22,26-27H,6,9-10,13-15,24H2,1-2H3,(H,25,28)/t19-,22?/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50001853
PNG
(2-Amino-N-(2-fluoro-1-methyl-6-phenyl-hex-2-enyl)-...)
Show SMILES CC(NC(=O)C(N)Cc1c(C)cc(O)cc1C)C(\F)=C\CCCc1ccccc1
Show InChI InChI=1S/C24H31FN2O2/c1-16-13-20(28)14-17(2)21(16)15-23(26)24(29)27-18(3)22(25)12-8-7-11-19-9-5-4-6-10-19/h4-6,9-10,12-14,18,23,28H,7-8,11,15,26H2,1-3H3,(H,27,29)/b22-12-
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n/an/a 8.00E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50001847
PNG
(2-Amino-N-[2-tert-butoxy-1-(3-phenyl-propoxymethyl...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@@H](COCCCc1ccccc1)COC(C)(C)C
Show InChI InChI=1S/C27H40N2O4/c1-19-14-23(30)15-20(2)24(19)16-25(28)26(31)29-22(18-33-27(3,4)5)17-32-13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-15,22,25,30H,9,12-13,16-18,28H2,1-5H3,(H,29,31)/t22-,25?/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


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