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PubMed code 7853350

Compile data set for download or QSAR
Found 33 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-type opioid receptor


(GUINEA PIG)		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50036249
PNG
(4-cyclopropylmethyl-14-(2-isothiocyanatobenzyloxy)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C28H30N2O4S/c31-21-8-7-18-13-23-28(32)10-9-22(33-15-19-3-1-2-4-20(19)29-16-35)26-27(28,24(18)25(21)34-26)11-12-30(23)14-17-5-6-17/h1-4,7-8,17,22-23,26,31-32H,5-6,9-15H2/t22-,23?,26+,27?,28-/m1/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50254511
PNG
(CHEMBL468469 | Naltrexone-6-alpha-ol)
Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50036249
PNG
(4-cyclopropylmethyl-14-(2-isothiocyanatobenzyloxy)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C28H30N2O4S/c31-21-8-7-18-13-23-28(32)10-9-22(33-15-19-3-1-2-4-20(19)29-16-35)26-27(28,24(18)25(21)34-26)11-12-30(23)14-17-5-6-17/h1-4,7-8,17,22-23,26,31-32H,5-6,9-15H2/t22-,23?,26+,27?,28-/m1/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50453488
PNG
(CHEMBL2112732)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CCC35O)OCc1ccccc1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C27H31NO4/c29-20-9-8-19-14-22-27(30)11-10-21(31-16-18-4-2-1-3-5-18)25-26(27,23(19)24(20)32-25)12-13-28(22)15-17-6-7-17/h1-5,8-9,17,21-22,25,29-30H,6-7,10-16H2/t21-,22?,25?,26?,27?/m1/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50453488
PNG
(CHEMBL2112732)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CCC35O)OCc1ccccc1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C27H31NO4/c29-20-9-8-19-14-22-27(30)11-10-21(31-16-18-4-2-1-3-5-18)25-26(27,23(19)24(20)32-25)12-13-28(22)15-17-6-7-17/h1-5,8-9,17,21-22,25,29-30H,6-7,10-16H2/t21-,22?,25?,26?,27?/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50254511
PNG
(CHEMBL468469 | Naltrexone-6-alpha-ol)
Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50453488
PNG
(CHEMBL2112732)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CCC35O)OCc1ccccc1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C27H31NO4/c29-20-9-8-19-14-22-27(30)11-10-21(31-16-18-4-2-1-3-5-18)25-26(27,23(19)24(20)32-25)12-13-28(22)15-17-6-7-17/h1-5,8-9,17,21-22,25,29-30H,6-7,10-16H2/t21-,22?,25?,26?,27?/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50036247
PNG
(4-cyclopropylmethyl-14-(3-isothiocyanatomethylbenz...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1cccc(CN=C=S)c1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C29H32N2O4S/c32-22-7-6-21-13-24-29(33)9-8-23(34-16-20-3-1-2-19(12-20)14-30-17-36)27-28(29,25(21)26(22)35-27)10-11-31(24)15-18-4-5-18/h1-3,6-7,12,18,23-24,27,32-33H,4-5,8-11,13-16H2/t23-,24?,27+,28?,29-/m1/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50036242
PNG
(4-cyclopropylmethyl-14-(3-isothiocyanatobenzyloxy)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1cccc(c1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C28H30N2O4S/c31-21-7-6-19-13-23-28(32)9-8-22(33-15-18-2-1-3-20(12-18)29-16-35)26-27(28,24(19)25(21)34-26)10-11-30(23)14-17-4-5-17/h1-3,6-7,12,17,22-23,26,31-32H,4-5,8-11,13-15H2/t22-,23?,26+,27?,28-/m1/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50036248
PNG
(4-cyclopropylmethyl-14-(4-isothiocyanatomethylbenz...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(CN=C=S)cc1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C29H32N2O4S/c32-22-8-7-21-13-24-29(33)10-9-23(34-16-20-5-1-18(2-6-20)14-30-17-36)27-28(29,25(21)26(22)35-27)11-12-31(24)15-19-3-4-19/h1-2,5-8,19,23-24,27,32-33H,3-4,9-16H2/t23-,24?,27+,28?,29-/m1/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50036249
PNG
(4-cyclopropylmethyl-14-(2-isothiocyanatobenzyloxy)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C28H30N2O4S/c31-21-8-7-18-13-23-28(32)10-9-22(33-15-19-3-1-2-4-20(19)29-16-35)26-27(28,24(18)25(21)34-26)11-12-30(23)14-17-5-6-17/h1-4,7-8,17,22-23,26,31-32H,5-6,9-15H2/t22-,23?,26+,27?,28-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50036244
PNG
(4-cyclopropylmethyl-14-(4-isothiocyanatobenzyloxy)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(cc1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C28H30N2O4S/c31-21-8-5-19-13-23-28(32)10-9-22(33-15-18-3-6-20(7-4-18)29-16-35)26-27(28,24(19)25(21)34-26)11-12-30(23)14-17-1-2-17/h3-8,17,22-23,26,31-32H,1-2,9-15H2/t22-,23?,26+,27?,28-/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50036248
PNG
(4-cyclopropylmethyl-14-(4-isothiocyanatomethylbenz...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(CN=C=S)cc1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C29H32N2O4S/c32-22-8-7-21-13-24-29(33)10-9-23(34-16-20-5-1-18(2-6-20)14-30-17-36)27-28(29,25(21)26(22)35-27)11-12-31(24)15-19-3-4-19/h1-2,5-8,19,23-24,27,32-33H,3-4,9-16H2/t23-,24?,27+,28?,29-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50036247
PNG
(4-cyclopropylmethyl-14-(3-isothiocyanatomethylbenz...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1cccc(CN=C=S)c1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C29H32N2O4S/c32-22-7-6-21-13-24-29(33)9-8-23(34-16-20-3-1-2-19(12-20)14-30-17-36)27-28(29,25(21)26(22)35-27)10-11-31(24)15-18-4-5-18/h1-3,6-7,12,18,23-24,27,32-33H,4-5,8-11,13-16H2/t23-,24?,27+,28?,29-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50036242
PNG
(4-cyclopropylmethyl-14-(3-isothiocyanatobenzyloxy)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1cccc(c1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C28H30N2O4S/c31-21-7-6-19-13-23-28(32)9-8-22(33-15-18-2-1-3-20(12-18)29-16-35)26-27(28,24(19)25(21)34-26)10-11-30(23)14-17-4-5-17/h1-3,6-7,12,17,22-23,26,31-32H,4-5,8-11,13-15H2/t22-,23?,26+,27?,28-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50036247
PNG
(4-cyclopropylmethyl-14-(3-isothiocyanatomethylbenz...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1cccc(CN=C=S)c1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C29H32N2O4S/c32-22-7-6-21-13-24-29(33)9-8-23(34-16-20-3-1-2-19(12-20)14-30-17-36)27-28(29,25(21)26(22)35-27)10-11-31(24)15-18-4-5-18/h1-3,6-7,12,18,23-24,27,32-33H,4-5,8-11,13-16H2/t23-,24?,27+,28?,29-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50036245
PNG
(4-cyclopropylmethyl-14-(2-isothiocyanatomethylbenz...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccccc1CN=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C29H32N2O4S/c32-22-8-7-19-13-24-29(33)10-9-23(34-16-21-4-2-1-3-20(21)14-30-17-36)27-28(29,25(19)26(22)35-27)11-12-31(24)15-18-5-6-18/h1-4,7-8,18,23-24,27,32-33H,5-6,9-16H2/t23-,24?,27+,28?,29-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50036248
PNG
(4-cyclopropylmethyl-14-(4-isothiocyanatomethylbenz...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(CN=C=S)cc1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C29H32N2O4S/c32-22-8-7-21-13-24-29(33)10-9-23(34-16-20-5-1-18(2-6-20)14-30-17-36)27-28(29,25(21)26(22)35-27)11-12-31(24)15-19-3-4-19/h1-2,5-8,19,23-24,27,32-33H,3-4,9-16H2/t23-,24?,27+,28?,29-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50036244
PNG
(4-cyclopropylmethyl-14-(4-isothiocyanatobenzyloxy)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(cc1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C28H30N2O4S/c31-21-8-5-19-13-23-28(32)10-9-22(33-15-18-3-6-20(7-4-18)29-16-35)26-27(28,24(19)25(21)34-26)11-12-30(23)14-17-1-2-17/h3-8,17,22-23,26,31-32H,1-2,9-15H2/t22-,23?,26+,27?,28-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50036245
PNG
(4-cyclopropylmethyl-14-(2-isothiocyanatomethylbenz...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccccc1CN=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C29H32N2O4S/c32-22-8-7-19-13-24-29(33)10-9-23(34-16-21-4-2-1-3-20(21)14-30-17-36)27-28(29,25(19)26(22)35-27)11-12-31(24)15-18-5-6-18/h1-4,7-8,18,23-24,27,32-33H,5-6,9-16H2/t23-,24?,27+,28?,29-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50036242
PNG
(4-cyclopropylmethyl-14-(3-isothiocyanatobenzyloxy)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1cccc(c1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C28H30N2O4S/c31-21-7-6-19-13-23-28(32)9-8-22(33-15-18-2-1-3-20(12-18)29-16-35)26-27(28,24(19)25(21)34-26)10-11-30(23)14-17-4-5-17/h1-3,6-7,12,17,22-23,26,31-32H,4-5,8-11,13-15H2/t22-,23?,26+,27?,28-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50254511
PNG
(CHEMBL468469 | Naltrexone-6-alpha-ol)
Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50036244
PNG
(4-cyclopropylmethyl-14-(4-isothiocyanatobenzyloxy)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(cc1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C28H30N2O4S/c31-21-8-5-19-13-23-28(32)10-9-22(33-15-18-3-6-20(7-4-18)29-16-35)26-27(28,24(19)25(21)34-26)11-12-30(23)14-17-1-2-17/h3-8,17,22-23,26,31-32H,1-2,9-15H2/t22-,23?,26+,27?,28-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50036245
PNG
(4-cyclopropylmethyl-14-(2-isothiocyanatomethylbenz...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccccc1CN=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C29H32N2O4S/c32-22-8-7-19-13-24-29(33)10-9-23(34-16-21-4-2-1-3-20(21)14-30-17-36)27-28(29,25(19)26(22)35-27)11-12-31(24)15-18-5-6-18/h1-4,7-8,18,23-24,27,32-33H,5-6,9-16H2/t23-,24?,27+,28?,29-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/a 4.97E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand

J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%