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PubMed code 11755345

Compile data set for download or QSAR
Found 45 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
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50108346
PNG
(CHEMBL295295 | Indole Derivative)
Show SMILES C[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:10:27:2:25.23.24|
Show InChI InChI=1S/C24H24N2O2/c1-12-18-14-5-3-4-6-15(14)25-21(18)23-24-9-10-26(2)16(19(12)24)11-13-7-8-17(27)22(28-23)20(13)24/h3-8,12,16,19,23,25,27H,9-11H2,1-2H3/t12-,16?,19?,23-,24?/m0/s1
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 0.700n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor by displacing [3H]DADL was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50076568
PNG
(CHEMBL46542)
Show SMILES [H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5C(=O)\C=C\C)ccc3O |TLB:3:4:8:23.21.22|
Show InChI InChI=1S/C23H32N8O6S/c1-30(2)19-9-5-10-20-16(19)8-6-12-31(20)38(35,36)29-18(22(33)34)14-27-21(32)17-13-15(37-28-17)7-3-4-11-26-23(24)25/h5-6,8-10,12,15,18,29H,3-4,7,11,13-14H2,1-2H3,(H5-,24,25,26,27,32,33,34)/p+1/t15?,18-/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor by displacing [3H]DADL was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50076574
PNG
(CHEMBL47240)
Show SMILES [H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5CC1CC1)ccc3O |TLB:3:4:8:23.21.22|
Show InChI InChI=1S/C17H27ClN8O6S/c1-10-9-25(2)26(18)15(10)33(30,31)24-13(16(28)29)8-22-14(27)12-7-11(32-23-12)5-3-4-6-21-17(19)20/h9,11,13,24H,3-8H2,1-2H3,(H5-,19,20,21,22,27,28,29)/p+1/t11?,13-/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor by displacing [3H]DADL was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50451441
PNG
(CHEMBL607396)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:14|
Show InChI InChI=1S/C23H22N2O2/c1-25-9-8-23-15-11-14-13-4-2-3-5-16(13)24-20(14)22(23)27-21-18(26)7-6-12(19(21)23)10-17(15)25/h2-7,15,17,22,24,26H,8-11H2,1H3/t15-,17+,22-,23-/m0/s1
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 2.40n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor by displacing [3H]DADL was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50070096
PNG
(CHEMBL298489)
Show SMILES [H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5C(C)C=C)ccc3O |TLB:3:4:8:23.21.22|
Show InChI InChI=1S/C16H14N2O2/c1-20-11-2-3-12-13(9-11)15(17)14(16(12)19)8-10-4-6-18-7-5-10/h2-7,9,14,17H,8H2,1H3
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 9n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor by displacing [3H]DADL was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50451441
PNG
(CHEMBL607396)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:14|
Show InChI InChI=1S/C23H22N2O2/c1-25-9-8-23-15-11-14-13-4-2-3-5-16(13)24-20(14)22(23)27-21-18(26)7-6-12(19(21)23)10-17(15)25/h2-7,15,17,22,24,26H,8-11H2,1H3/t15-,17+,22-,23-/m0/s1
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 15n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for gamma-S binding assay

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50108349
PNG
(CHEMBL297839 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27|
Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1
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 22n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor by displacing [3H]DADL was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50108348
PNG
(CHEMBL296922 | Indole Derivative)
Show SMILES COc1ccc2CC3C4[C@@H](C)c5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:22:23:8:27.25.26|
Show InChI InChI=1S/C25H26N2O2/c1-13-19-15-6-4-5-7-16(15)26-22(19)24-25-10-11-27(2)17(20(13)25)12-14-8-9-18(28-3)23(29-24)21(14)25/h4-9,13,17,20,24,26H,10-12H2,1-3H3/t13-,17?,20?,24-,25?/m0/s1
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 27n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor by displacing [3H]DADL was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50076574
PNG
(CHEMBL47240)
Show SMILES [H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5CC1CC1)ccc3O |TLB:3:4:8:23.21.22|
Show InChI InChI=1S/C17H27ClN8O6S/c1-10-9-25(2)26(18)15(10)33(30,31)24-13(16(28)29)8-22-14(27)12-7-11(32-23-12)5-3-4-6-21-17(19)20/h9,11,13,24H,3-8H2,1-2H3,(H5-,19,20,21,22,27,28,29)/p+1/t11?,13-/m0/s1
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 36n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor by displacing [3H]U-69593 was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50108349
PNG
(CHEMBL297839 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27|
Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1
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 46n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for gamma-S binding assay

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50108346
PNG
(CHEMBL295295 | Indole Derivative)
Show SMILES C[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:10:27:2:25.23.24|
Show InChI InChI=1S/C24H24N2O2/c1-12-18-14-5-3-4-6-15(14)25-21(18)23-24-9-10-26(2)16(19(12)24)11-13-7-8-17(27)22(28-23)20(13)24/h3-8,12,16,19,23,25,27H,9-11H2,1-2H3/t12-,16?,19?,23-,24?/m0/s1
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 49n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for gamma-S binding assay

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50076574
PNG
(CHEMBL47240)
Show SMILES [H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5CC1CC1)ccc3O |TLB:3:4:8:23.21.22|
Show InChI InChI=1S/C17H27ClN8O6S/c1-10-9-25(2)26(18)15(10)33(30,31)24-13(16(28)29)8-22-14(27)12-7-11(32-23-12)5-3-4-6-21-17(19)20/h9,11,13,24H,3-8H2,1-2H3,(H5-,19,20,21,22,27,28,29)/p+1/t11?,13-/m0/s1
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 66n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor by displacing [3H]-DAMGO was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50108351
PNG
(CHEMBL45344 | Indole Derivative)
Show SMILES COc1ccc2CC3C4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:21:22:8:26.24.25|
Show InChI InChI=1S/C24H24N2O2/c1-26-10-9-24-16-12-15-14-5-3-4-6-17(14)25-21(15)23(24)28-22-19(27-2)8-7-13(20(22)24)11-18(16)26/h3-8,16,18,23,25H,9-12H2,1-2H3/t16?,18?,23-,24?/m0/s1
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 95n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor by displacing [3H]DADL was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50076568
PNG
(CHEMBL46542)
Show SMILES [H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5C(=O)\C=C\C)ccc3O |TLB:3:4:8:23.21.22|
Show InChI InChI=1S/C23H32N8O6S/c1-30(2)19-9-5-10-20-16(19)8-6-12-31(20)38(35,36)29-18(22(33)34)14-27-21(32)17-13-15(37-28-17)7-3-4-11-26-23(24)25/h5-6,8-10,12,15,18,29H,3-4,7,11,13-14H2,1-2H3,(H5-,24,25,26,27,32,33,34)/p+1/t15?,18-/m0/s1
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 120n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor by displacing [3H]U-69593 was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50108346
PNG
(CHEMBL295295 | Indole Derivative)
Show SMILES C[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:10:27:2:25.23.24|
Show InChI InChI=1S/C24H24N2O2/c1-12-18-14-5-3-4-6-15(14)25-21(18)23-24-9-10-26(2)16(19(12)24)11-13-7-8-17(27)22(28-23)20(13)24/h3-8,12,16,19,23,25,27H,9-11H2,1-2H3/t12-,16?,19?,23-,24?/m0/s1
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 126n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor by displacing [3H]U-69593 was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50451441
PNG
(CHEMBL607396)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:14|
Show InChI InChI=1S/C23H22N2O2/c1-25-9-8-23-15-11-14-13-4-2-3-5-16(13)24-20(14)22(23)27-21-18(26)7-6-12(19(21)23)10-17(15)25/h2-7,15,17,22,24,26H,8-11H2,1H3/t15-,17+,22-,23-/m0/s1
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 202n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for mu opioid receptor by displacing DAMGO was determined in [35S]-GTP gamma-S binding assay

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50108346
PNG
(CHEMBL295295 | Indole Derivative)
Show SMILES C[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:10:27:2:25.23.24|
Show InChI InChI=1S/C24H24N2O2/c1-12-18-14-5-3-4-6-15(14)25-21(18)23-24-9-10-26(2)16(19(12)24)11-13-7-8-17(27)22(28-23)20(13)24/h3-8,12,16,19,23,25,27H,9-11H2,1-2H3/t12-,16?,19?,23-,24?/m0/s1
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 240n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor by displacing [3H]-DAMGO was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50108349
PNG
(CHEMBL297839 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27|
Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1
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 272n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for kappa opioid receptor by displacing U-69,593 was determined in [35S]-GTP gamma-S binding assay

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50108349
PNG
(CHEMBL297839 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27|
Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1
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 272n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor by displacing U-69,593 was determined in [35S]GTP gamma-S binding assay

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50108351
PNG
(CHEMBL45344 | Indole Derivative)
Show SMILES COc1ccc2CC3C4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:21:22:8:26.24.25|
Show InChI InChI=1S/C24H24N2O2/c1-26-10-9-24-16-12-15-14-5-3-4-6-17(14)25-21(15)23(24)28-22-19(27-2)8-7-13(20(22)24)11-18(16)26/h3-8,16,18,23,25H,9-12H2,1-2H3/t16?,18?,23-,24?/m0/s1
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 290n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for gamma-S binding assay

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50108348
PNG
(CHEMBL296922 | Indole Derivative)
Show SMILES COc1ccc2CC3C4[C@@H](C)c5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:22:23:8:27.25.26|
Show InChI InChI=1S/C25H26N2O2/c1-13-19-15-6-4-5-7-16(15)26-22(19)24-25-10-11-27(2)17(20(13)25)12-14-8-9-18(28-3)23(29-24)21(14)25/h4-9,13,17,20,24,26H,10-12H2,1-3H3/t13-,17?,20?,24-,25?/m0/s1
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 330n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for gamma-S binding assay

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50108347
PNG
(CHEMBL432117 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(OC)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:14:31:5:29.27.28|
Show InChI InChI=1S/C28H32N2O2/c1-4-5-8-18-22-17-9-6-7-10-19(17)29-25(22)27-28-13-14-30(2)20(24(18)28)15-16-11-12-21(31-3)26(32-27)23(16)28/h6-7,9-12,18,20,24,27,29H,4-5,8,13-15H2,1-3H3/t18-,20?,24?,27-,28?/m0/s1
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>350n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for kappa opioid receptor by displacing U-69,593 was determined in [35S]-GTP gamma-S binding assay; Inactive

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50108347
PNG
(CHEMBL432117 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(OC)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:14:31:5:29.27.28|
Show InChI InChI=1S/C28H32N2O2/c1-4-5-8-18-22-17-9-6-7-10-19(17)29-25(22)27-28-13-14-30(2)20(24(18)28)15-16-11-12-21(31-3)26(32-27)23(16)28/h6-7,9-12,18,20,24,27,29H,4-5,8,13-15H2,1-3H3/t18-,20?,24?,27-,28?/m0/s1
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NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for kappa opioid receptor by displacing U-69,593 was determined in [35S]-GTP gamma-S binding assay; Inactive

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50108351
PNG
(CHEMBL45344 | Indole Derivative)
Show SMILES COc1ccc2CC3C4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:21:22:8:26.24.25|
Show InChI InChI=1S/C24H24N2O2/c1-26-10-9-24-16-12-15-14-5-3-4-6-17(14)25-21(15)23(24)28-22-19(27-2)8-7-13(20(22)24)11-18(16)26/h3-8,16,18,23,25H,9-12H2,1-2H3/t16?,18?,23-,24?/m0/s1
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NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for kappa opioid receptor by displacing U-69,593 was determined in [35S]-GTP gamma-S binding assay; Inactive

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50108348
PNG
(CHEMBL296922 | Indole Derivative)
Show SMILES COc1ccc2CC3C4[C@@H](C)c5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:22:23:8:27.25.26|
Show InChI InChI=1S/C25H26N2O2/c1-13-19-15-6-4-5-7-16(15)26-22(19)24-25-10-11-27(2)17(20(13)25)12-14-8-9-18(28-3)23(29-24)21(14)25/h4-9,13,17,20,24,26H,10-12H2,1-3H3/t13-,17?,20?,24-,25?/m0/s1
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>350n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for kappa opioid receptor by displacing U-69,593 was determined in [35S]-GTP gamma-S binding assay; Inactive

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50108351
PNG
(CHEMBL45344 | Indole Derivative)
Show SMILES COc1ccc2CC3C4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:21:22:8:26.24.25|
Show InChI InChI=1S/C24H24N2O2/c1-26-10-9-24-16-12-15-14-5-3-4-6-17(14)25-21(15)23(24)28-22-19(27-2)8-7-13(20(22)24)11-18(16)26/h3-8,16,18,23,25H,9-12H2,1-2H3/t16?,18?,23-,24?/m0/s1
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>350n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for kappa opioid receptor by displacing U-69,593 was determined in [35S]-GTP gamma-S binding assay; Inactive

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50108348
PNG
(CHEMBL296922 | Indole Derivative)
Show SMILES COc1ccc2CC3C4[C@@H](C)c5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:22:23:8:27.25.26|
Show InChI InChI=1S/C25H26N2O2/c1-13-19-15-6-4-5-7-16(15)26-22(19)24-25-10-11-27(2)17(20(13)25)12-14-8-9-18(28-3)23(29-24)21(14)25/h4-9,13,17,20,24,26H,10-12H2,1-3H3/t13-,17?,20?,24-,25?/m0/s1
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NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for kappa opioid receptor by displacing U-69,593 was determined in [35S]-GTP gamma-S binding assay; Inactive

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50108347
PNG
(CHEMBL432117 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(OC)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:14:31:5:29.27.28|
Show InChI InChI=1S/C28H32N2O2/c1-4-5-8-18-22-17-9-6-7-10-19(17)29-25(22)27-28-13-14-30(2)20(24(18)28)15-16-11-12-21(31-3)26(32-27)23(16)28/h6-7,9-12,18,20,24,27,29H,4-5,8,13-15H2,1-3H3/t18-,20?,24?,27-,28?/m0/s1
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 370n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor by displacing [3H]DADL was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50108346
PNG
(CHEMBL295295 | Indole Derivative)
Show SMILES C[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:10:27:2:25.23.24|
Show InChI InChI=1S/C24H24N2O2/c1-12-18-14-5-3-4-6-15(14)25-21(18)23-24-9-10-26(2)16(19(12)24)11-13-7-8-17(27)22(28-23)20(13)24/h3-8,12,16,19,23,25,27H,9-11H2,1-2H3/t12-,16?,19?,23-,24?/m0/s1
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 398n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for kappa opioid receptor by displacing U-69,593 was determined in [35S]-GTP gamma-S binding assay

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50108349
PNG
(CHEMBL297839 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27|
Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1
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 561n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for mu opioid receptor by displacing DAMGO was determined in [35S]-GTP gamma-S binding assay

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50108348
PNG
(CHEMBL296922 | Indole Derivative)
Show SMILES COc1ccc2CC3C4[C@@H](C)c5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:22:23:8:27.25.26|
Show InChI InChI=1S/C25H26N2O2/c1-13-19-15-6-4-5-7-16(15)26-22(19)24-25-10-11-27(2)17(20(13)25)12-14-8-9-18(28-3)23(29-24)21(14)25/h4-9,13,17,20,24,26H,10-12H2,1-3H3/t13-,17?,20?,24-,25?/m0/s1
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>600n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for mu opioid receptor by displacing DAMGO was determined in [35S]-GTP gamma-S binding assay; Inactive

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50108347
PNG
(CHEMBL432117 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(OC)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:14:31:5:29.27.28|
Show InChI InChI=1S/C28H32N2O2/c1-4-5-8-18-22-17-9-6-7-10-19(17)29-25(22)27-28-13-14-30(2)20(24(18)28)15-16-11-12-21(31-3)26(32-27)23(16)28/h6-7,9-12,18,20,24,27,29H,4-5,8,13-15H2,1-3H3/t18-,20?,24?,27-,28?/m0/s1
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NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for mu opioid receptor by displacing DAMGO was determined in [35S]-GTP gamma-S binding assay; Inactive

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50108346
PNG
(CHEMBL295295 | Indole Derivative)
Show SMILES C[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:10:27:2:25.23.24|
Show InChI InChI=1S/C24H24N2O2/c1-12-18-14-5-3-4-6-15(14)25-21(18)23-24-9-10-26(2)16(19(12)24)11-13-7-8-17(27)22(28-23)20(13)24/h3-8,12,16,19,23,25,27H,9-11H2,1-2H3/t12-,16?,19?,23-,24?/m0/s1
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NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for mu opioid receptor by displacing DAMGO was determined in [35S]-GTP gamma-S binding assay; Inactive

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50108351
PNG
(CHEMBL45344 | Indole Derivative)
Show SMILES COc1ccc2CC3C4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:21:22:8:26.24.25|
Show InChI InChI=1S/C24H24N2O2/c1-26-10-9-24-16-12-15-14-5-3-4-6-17(14)25-21(15)23(24)28-22-19(27-2)8-7-13(20(22)24)11-18(16)26/h3-8,16,18,23,25H,9-12H2,1-2H3/t16?,18?,23-,24?/m0/s1
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NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for mu opioid receptor by displacing DAMGO was determined in [35S]-GTP gamma-S binding assay; Inactive

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50451441
PNG
(CHEMBL607396)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:14|
Show InChI InChI=1S/C23H22N2O2/c1-25-9-8-23-15-11-14-13-4-2-3-5-16(13)24-20(14)22(23)27-21-18(26)7-6-12(19(21)23)10-17(15)25/h2-7,15,17,22,24,26H,8-11H2,1H3/t15-,17+,22-,23-/m0/s1
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NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor by displacing [3H]-DAMGO was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50451441
PNG
(CHEMBL607396)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:14|
Show InChI InChI=1S/C23H22N2O2/c1-25-9-8-23-15-11-14-13-4-2-3-5-16(13)24-20(14)22(23)27-21-18(26)7-6-12(19(21)23)10-17(15)25/h2-7,15,17,22,24,26H,8-11H2,1H3/t15-,17+,22-,23-/m0/s1
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 731n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 SH2 domain binding to p185erbB-2 receptor

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50108347
PNG
(CHEMBL432117 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(OC)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:14:31:5:29.27.28|
Show InChI InChI=1S/C28H32N2O2/c1-4-5-8-18-22-17-9-6-7-10-19(17)29-25(22)27-28-13-14-30(2)20(24(18)28)15-16-11-12-21(31-3)26(32-27)23(16)28/h6-7,9-12,18,20,24,27,29H,4-5,8,13-15H2,1-3H3/t18-,20?,24?,27-,28?/m0/s1
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>750n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for gamma-S binding assay; Inactive

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50070096
PNG
(CHEMBL298489)
Show SMILES [H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5C(C)C=C)ccc3O |TLB:3:4:8:23.21.22|
Show InChI InChI=1S/C16H14N2O2/c1-20-11-2-3-12-13(9-11)15(17)14(16(12)19)8-10-4-6-18-7-5-10/h2-7,9,14,17H,8H2,1H3
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 850n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 SH2 domain binding to p185erbB-2 receptor

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50076568
PNG
(CHEMBL46542)
Show SMILES [H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5C(=O)\C=C\C)ccc3O |TLB:3:4:8:23.21.22|
Show InChI InChI=1S/C23H32N8O6S/c1-30(2)19-9-5-10-20-16(19)8-6-12-31(20)38(35,36)29-18(22(33)34)14-27-21(32)17-13-15(37-28-17)7-3-4-11-26-23(24)25/h5-6,8-10,12,15,18,29H,3-4,7,11,13-14H2,1-2H3,(H5-,24,25,26,27,32,33,34)/p+1/t15?,18-/m0/s1
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 1.02E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor by displacing [3H]-DAMGO was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50070096
PNG
(CHEMBL298489)
Show SMILES [H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5C(C)C=C)ccc3O |TLB:3:4:8:23.21.22|
Show InChI InChI=1S/C16H14N2O2/c1-20-11-2-3-12-13(9-11)15(17)14(16(12)19)8-10-4-6-18-7-5-10/h2-7,9,14,17H,8H2,1H3
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 1.08E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor by displacing [3H]-DAMGO was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50108349
PNG
(CHEMBL297839 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27|
Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1
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 1.10E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor by displacing [3H]-DAMGO was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50108347
PNG
(CHEMBL432117 | Indole Derivative)
Show SMILES CCCC[C@@H]1C2C3Cc4ccc(OC)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:14:31:5:29.27.28|
Show InChI InChI=1S/C28H32N2O2/c1-4-5-8-18-22-17-9-6-7-10-19(17)29-25(22)27-28-13-14-30(2)20(24(18)28)15-16-11-12-21(31-3)26(32-27)23(16)28/h6-7,9-12,18,20,24,27,29H,4-5,8,13-15H2,1-3H3/t18-,20?,24?,27-,28?/m0/s1
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>4.30E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor by displacing [3H]-DAMGO was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50108348
PNG
(CHEMBL296922 | Indole Derivative)
Show SMILES COc1ccc2CC3C4[C@@H](C)c5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:22:23:8:27.25.26|
Show InChI InChI=1S/C25H26N2O2/c1-13-19-15-6-4-5-7-16(15)26-22(19)24-25-10-11-27(2)17(20(13)25)12-14-8-9-18(28-3)23(29-24)21(14)25/h4-9,13,17,20,24,26H,10-12H2,1-3H3/t13-,17?,20?,24-,25?/m0/s1
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>4.80E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor by displacing [3H]-DAMGO was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50108351
PNG
(CHEMBL45344 | Indole Derivative)
Show SMILES COc1ccc2CC3C4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:21:22:8:26.24.25|
Show InChI InChI=1S/C24H24N2O2/c1-26-10-9-24-16-12-15-14-5-3-4-6-17(14)25-21(15)23(24)28-22-19(27-2)8-7-13(20(22)24)11-18(16)26/h3-8,16,18,23,25H,9-12H2,1-2H3/t16?,18?,23-,24?/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor by displacing [3H]-DAMGO was determined

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50451441
PNG
(CHEMBL607396)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:14|
Show InChI InChI=1S/C23H22N2O2/c1-25-9-8-23-15-11-14-13-4-2-3-5-16(13)24-20(14)22(23)27-21-18(26)7-6-12(19(21)23)10-17(15)25/h2-7,15,17,22,24,26H,8-11H2,1H3/t15-,17+,22-,23-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound for kappa opioid receptor by displacing U-69,593 was determined in [35S]-GTP gamma-S binding assay

Bioorg Med Chem Lett 12: 165-8 (2001)


BindingDB Entry DOI: 10.7270/Q2S181T9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%