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PubMed code 9871544

Compile data set for download or QSAR
Found 24 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))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 0.217n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 27n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DAMGO from mu receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]U-69593 from kappa receptor in guinea pig brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50291697
PNG
((1S,2S,13S)-22-(cyclopropylmethyl)-14-oxa-11,22-di...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@H]3Oc4cccc5CC1N(CC1CC1)CC[C@@]23c45 |THB:17:18:1:21.27.26,14:29:1:21.27.26|
Show InChI InChI=1S/C26H26N2O2/c29-26-13-18-17-5-1-2-6-19(17)27-23(18)24-25(26)10-11-28(14-15-8-9-15)21(26)12-16-4-3-7-20(30-24)22(16)25/h1-7,15,21,24,27,29H,8-14H2/t21?,24-,25+,26-/m1/s1
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 35n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069179
PNG
(22-cyclopropylmethyl-16-vinyl-14-oxa-11,22-diazahe...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4C=C
Show InChI InChI=1S/C28H28N2O2/c1-2-17-9-10-18-13-22-28(31)14-20-19-5-3-4-6-21(19)29-24(20)26-27(28,23(18)25(17)32-26)11-12-30(22)15-16-7-8-16/h2-6,9-10,16,22,26,29,31H,1,7-8,11-15H2/t22-,26+,27+,28-/m1/s1
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 61n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069175
PNG
(22-cyclopropylmethyl-16-methyl-14-oxa-11,22-diazah...)
Show SMILES Cc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C27H28N2O2/c1-15-6-9-17-12-21-27(30)13-19-18-4-2-3-5-20(18)28-23(19)25-26(27,22(17)24(15)31-25)10-11-29(21)14-16-7-8-16/h2-6,9,16,21,25,28,30H,7-8,10-14H2,1H3/t21-,25+,26+,27-/m1/s1
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 71n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069177
PNG
(22-cyclopropylmethyl-16-(2-furyl)-14-oxa-11,22-dia...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4-c1ccco1
Show InChI InChI=1S/C30H28N2O3/c33-30-15-21-19-4-1-2-5-22(19)31-26(21)28-29(30)11-12-32(16-17-7-8-17)24(30)14-18-9-10-20(23-6-3-13-34-23)27(35-28)25(18)29/h1-6,9-10,13,17,24,28,31,33H,7-8,11-12,14-16H2/t24-,28+,29+,30-/m1/s1
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 959n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069176
PNG
(22-cyclopropylmethyl-16-(3-hydroxyphenyl)-14-oxa-1...)
Show SMILES Oc1cccc(c1)-c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C32H30N2O3/c35-21-5-3-4-19(14-21)22-11-10-20-15-26-32(36)16-24-23-6-1-2-7-25(23)33-28(24)30-31(32,27(20)29(22)37-30)12-13-34(26)17-18-8-9-18/h1-7,10-11,14,18,26,30,33,35-36H,8-9,12-13,15-17H2/t26-,30+,31+,32-/m1/s1
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 1.61E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069177
PNG
(22-cyclopropylmethyl-16-(2-furyl)-14-oxa-11,22-dia...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4-c1ccco1
Show InChI InChI=1S/C30H28N2O3/c33-30-15-21-19-4-1-2-5-22(19)31-26(21)28-29(30)11-12-32(16-17-7-8-17)24(30)14-18-9-10-20(23-6-3-13-34-23)27(35-28)25(18)29/h1-6,9-10,13,17,24,28,31,33H,7-8,11-12,14-16H2/t24-,28+,29+,30-/m1/s1
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>5.68E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DAMGO from mu receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069181
PNG
(22-cyclopropylmethyl-16-phenyl-14-oxa-11,22-diazah...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4-c1ccccc1
Show InChI InChI=1S/C32H30N2O2/c35-32-17-24-23-8-4-5-9-25(23)33-28(24)30-31(32)14-15-34(18-19-10-11-19)26(32)16-21-12-13-22(29(36-30)27(21)31)20-6-2-1-3-7-20/h1-9,12-13,19,26,30,33,35H,10-11,14-18H2/t26-,30+,31+,32-/m1/s1
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>5.68E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DAMGO from mu receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50291697
PNG
((1S,2S,13S)-22-(cyclopropylmethyl)-14-oxa-11,22-di...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@H]3Oc4cccc5CC1N(CC1CC1)CC[C@@]23c45 |THB:17:18:1:21.27.26,14:29:1:21.27.26|
Show InChI InChI=1S/C26H26N2O2/c29-26-13-18-17-5-1-2-6-19(17)27-23(18)24-25(26)10-11-28(14-15-8-9-15)21(26)12-16-4-3-7-20(30-24)22(16)25/h1-7,15,21,24,27,29H,8-14H2/t21?,24-,25+,26-/m1/s1
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>5.68E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DAMGO from mu receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069176
PNG
(22-cyclopropylmethyl-16-(3-hydroxyphenyl)-14-oxa-1...)
Show SMILES Oc1cccc(c1)-c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C32H30N2O3/c35-21-5-3-4-19(14-21)22-11-10-20-15-26-32(36)16-24-23-6-1-2-7-25(23)33-28(24)30-31(32,27(20)29(22)37-30)12-13-34(26)17-18-8-9-18/h1-7,10-11,14,18,26,30,33,35-36H,8-9,12-13,15-17H2/t26-,30+,31+,32-/m1/s1
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>5.68E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DAMGO from mu receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069175
PNG
(22-cyclopropylmethyl-16-methyl-14-oxa-11,22-diazah...)
Show SMILES Cc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C27H28N2O2/c1-15-6-9-17-12-21-27(30)13-19-18-4-2-3-5-20(18)28-23(19)25-26(27,22(17)24(15)31-25)10-11-29(21)14-16-7-8-16/h2-6,9,16,21,25,28,30H,7-8,10-14H2,1H3/t21-,25+,26+,27-/m1/s1
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>5.68E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DAMGO from mu receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069180
PNG
(22-cyclopropylmethyl-16-(3-methoxyphenyl)-14-oxa-1...)
Show SMILES COc1cccc(c1)-c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C33H32N2O3/c1-37-22-6-4-5-20(15-22)23-12-11-21-16-27-33(36)17-25-24-7-2-3-8-26(24)34-29(25)31-32(33,28(21)30(23)38-31)13-14-35(27)18-19-9-10-19/h2-8,11-12,15,19,27,31,34,36H,9-10,13-14,16-18H2,1H3/t27-,31+,32+,33-/m1/s1
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>5.68E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DAMGO from mu receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069179
PNG
(22-cyclopropylmethyl-16-vinyl-14-oxa-11,22-diazahe...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4C=C
Show InChI InChI=1S/C28H28N2O2/c1-2-17-9-10-18-13-22-28(31)14-20-19-5-3-4-6-21(19)29-24(20)26-27(28,23(18)25(17)32-26)11-12-30(22)15-16-7-8-16/h2-6,9-10,16,22,26,29,31H,1,7-8,11-15H2/t22-,26+,27+,28-/m1/s1
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>5.68E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DAMGO from mu receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069180
PNG
(22-cyclopropylmethyl-16-(3-methoxyphenyl)-14-oxa-1...)
Show SMILES COc1cccc(c1)-c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C33H32N2O3/c1-37-22-6-4-5-20(15-22)23-12-11-21-16-27-33(36)17-25-24-7-2-3-8-26(24)34-29(25)31-32(33,28(21)30(23)38-31)13-14-35(27)18-19-9-10-19/h2-8,11-12,15,19,27,31,34,36H,9-10,13-14,16-18H2,1H3/t27-,31+,32+,33-/m1/s1
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>6.67E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50069181
PNG
(22-cyclopropylmethyl-16-phenyl-14-oxa-11,22-diazah...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4-c1ccccc1
Show InChI InChI=1S/C32H30N2O2/c35-32-17-24-23-8-4-5-9-25(23)33-28(24)30-31(32)14-15-34(18-19-10-11-19)26(32)16-21-12-13-22(29(36-30)27(21)31)20-6-2-1-3-7-20/h1-9,12-13,19,26,30,33,35H,10-11,14-18H2/t26-,30+,31+,32-/m1/s1
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>6.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]U-69593 from kappa receptor in guinea pig brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50069177
PNG
(22-cyclopropylmethyl-16-(2-furyl)-14-oxa-11,22-dia...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4-c1ccco1
Show InChI InChI=1S/C30H28N2O3/c33-30-15-21-19-4-1-2-5-22(19)31-26(21)28-29(30)11-12-32(16-17-7-8-17)24(30)14-18-9-10-20(23-6-3-13-34-23)27(35-28)25(18)29/h1-6,9-10,13,17,24,28,31,33H,7-8,11-12,14-16H2/t24-,28+,29+,30-/m1/s1
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>6.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]U-69593 from kappa receptor in guinea pig brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50069176
PNG
(22-cyclopropylmethyl-16-(3-hydroxyphenyl)-14-oxa-1...)
Show SMILES Oc1cccc(c1)-c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C32H30N2O3/c35-21-5-3-4-19(14-21)22-11-10-20-15-26-32(36)16-24-23-6-1-2-7-25(23)33-28(24)30-31(32,27(20)29(22)37-30)12-13-34(26)17-18-8-9-18/h1-7,10-11,14,18,26,30,33,35-36H,8-9,12-13,15-17H2/t26-,30+,31+,32-/m1/s1
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>6.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]U-69593 from kappa receptor in guinea pig brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50069180
PNG
(22-cyclopropylmethyl-16-(3-methoxyphenyl)-14-oxa-1...)
Show SMILES COc1cccc(c1)-c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C33H32N2O3/c1-37-22-6-4-5-20(15-22)23-12-11-21-16-27-33(36)17-25-24-7-2-3-8-26(24)34-29(25)31-32(33,28(21)30(23)38-31)13-14-35(27)18-19-9-10-19/h2-8,11-12,15,19,27,31,34,36H,9-10,13-14,16-18H2,1H3/t27-,31+,32+,33-/m1/s1
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>6.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]U-69593 from kappa receptor in guinea pig brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50069175
PNG
(22-cyclopropylmethyl-16-methyl-14-oxa-11,22-diazah...)
Show SMILES Cc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C27H28N2O2/c1-15-6-9-17-12-21-27(30)13-19-18-4-2-3-5-20(18)28-23(19)25-26(27,22(17)24(15)31-25)10-11-29(21)14-16-7-8-16/h2-6,9,16,21,25,28,30H,7-8,10-14H2,1H3/t21-,25+,26+,27-/m1/s1
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>6.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]U-69593 from kappa receptor in guinea pig brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50069181
PNG
(22-cyclopropylmethyl-16-phenyl-14-oxa-11,22-diazah...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4-c1ccccc1
Show InChI InChI=1S/C32H30N2O2/c35-32-17-24-23-8-4-5-9-25(23)33-28(24)30-31(32)14-15-34(18-19-10-11-19)26(32)16-21-12-13-22(29(36-30)27(21)31)20-6-2-1-3-7-20/h1-9,12-13,19,26,30,33,35H,10-11,14-18H2/t26-,30+,31+,32-/m1/s1
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 1.06E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50291697
PNG
((1S,2S,13S)-22-(cyclopropylmethyl)-14-oxa-11,22-di...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@H]3Oc4cccc5CC1N(CC1CC1)CC[C@@]23c45 |THB:17:18:1:21.27.26,14:29:1:21.27.26|
Show InChI InChI=1S/C26H26N2O2/c29-26-13-18-17-5-1-2-6-19(17)27-23(18)24-25(26)10-11-28(14-15-8-9-15)21(26)12-16-4-3-7-20(30-24)22(16)25/h1-7,15,21,24,27,29H,8-14H2/t21?,24-,25+,26-/m1/s1
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 1.09E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]U-69593 from kappa receptor in guinea pig brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50069179
PNG
(22-cyclopropylmethyl-16-vinyl-14-oxa-11,22-diazahe...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4C=C
Show InChI InChI=1S/C28H28N2O2/c1-2-17-9-10-18-13-22-28(31)14-20-19-5-3-4-6-21(19)29-24(20)26-27(28,23(18)25(17)32-26)11-12-30(22)15-16-7-8-16/h2-6,9-10,16,22,26,29,31H,1,7-8,11-15H2/t22-,26+,27+,28-/m1/s1
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 1.76E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]U-69593 from kappa receptor in guinea pig brain.

Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%