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Articleid 50029792

Compile data set for download or QSAR
Found 26 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)		BDBM50248793
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,8-11,19,21,23,27,32,34H,6-7,12-17H2,(H,30,33)/b11-8+/t21-,23-,27+,28+,29-/m1/s1
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 0.0700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- DAMGO labeled mu opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50287928
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(Cl)cc1 |THB:8:7:22:18.4.5|
Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(34)31-21-11-12-29(35)23-15-19-6-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,31,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- DAMGO labeled mu opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50287928
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(Cl)cc1 |THB:8:7:22:18.4.5|
Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(34)31-21-11-12-29(35)23-15-19-6-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,31,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- U-69593 labeled kappa1 opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50287927
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |THB:8:7:22:18.4.5|
Show InChI InChI=1S/C29H31N3O6/c33-22-9-6-19-15-23-29(35)12-11-21(30-24(34)10-5-17-3-7-20(8-4-17)32(36)37)27-28(29,25(19)26(22)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,30,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- DAMGO labeled mu opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50248793
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,8-11,19,21,23,27,32,34H,6-7,12-17H2,(H,30,33)/b11-8+/t21-,23-,27+,28+,29-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- U-69593 labeled kappa1 opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50287929
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Cc1ccc(\C=C\C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)cc1 |TLB:29:28:13:33.17.16|
Show InChI InChI=1S/C30H34N2O4/c1-18-2-4-19(5-3-18)8-11-25(34)31-22-12-13-30(35)24-16-21-9-10-23(33)27-26(21)29(30,28(22)36-27)14-15-32(24)17-20-6-7-20/h2-5,8-11,20,22,24,28,33,35H,6-7,12-17H2,1H3,(H,31,34)/b11-8+/t22-,24-,28+,29?,30-/m1/s1
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 0.230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- DAMGO labeled mu opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- DAMGO labeled mu opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50287929
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Cc1ccc(\C=C\C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)cc1 |TLB:29:28:13:33.17.16|
Show InChI InChI=1S/C30H34N2O4/c1-18-2-4-19(5-3-18)8-11-25(34)31-22-12-13-30(35)24-16-21-9-10-23(33)27-26(21)29(30,28(22)36-27)14-15-32(24)17-20-6-7-20/h2-5,8-11,20,22,24,28,33,35H,6-7,12-17H2,1H3,(H,31,34)/b11-8+/t22-,24-,28+,29?,30-/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- bremazocine labeled kappa2 opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50287927
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |THB:8:7:22:18.4.5|
Show InChI InChI=1S/C29H31N3O6/c33-22-9-6-19-15-23-29(35)12-11-21(30-24(34)10-5-17-3-7-20(8-4-17)32(36)37)27-28(29,25(19)26(22)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,30,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- bremazocine labeled kappa2 opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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 0.900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- U-69593 labeled kappa1 opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50248793
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,8-11,19,21,23,27,32,34H,6-7,12-17H2,(H,30,33)/b11-8+/t21-,23-,27+,28+,29-/m1/s1
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 3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- Cl-DPDPE labeled Opioid receptor delta 1 in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50287928
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(Cl)cc1 |THB:8:7:22:18.4.5|
Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(34)31-21-11-12-29(35)23-15-19-6-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,31,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
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 5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- Cl-DPDPE labeled Opioid receptor delta 1 in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50287927
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |THB:8:7:22:18.4.5|
Show InChI InChI=1S/C29H31N3O6/c33-22-9-6-19-15-23-29(35)12-11-21(30-24(34)10-5-17-3-7-20(8-4-17)32(36)37)27-28(29,25(19)26(22)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,30,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
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 5.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- Cl-DPDPE labeled Opioid receptor delta 1 in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50287929
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Cc1ccc(\C=C\C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)cc1 |TLB:29:28:13:33.17.16|
Show InChI InChI=1S/C30H34N2O4/c1-18-2-4-19(5-3-18)8-11-25(34)31-22-12-13-30(35)24-16-21-9-10-23(33)27-26(21)29(30,28(22)36-27)14-15-32(24)17-20-6-7-20/h2-5,8-11,20,22,24,28,33,35H,6-7,12-17H2,1H3,(H,31,34)/b11-8+/t22-,24-,28+,29?,30-/m1/s1
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 9.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- Cl-DPDPE labeled Opioid receptor delta 1 in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50248793
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,8-11,19,21,23,27,32,34H,6-7,12-17H2,(H,30,33)/b11-8+/t21-,23-,27+,28+,29-/m1/s1
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 13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for kappa opioid receptor mediated agonistic effect in electrically stimulated guinea-pig ileum

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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 22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- Cl-DPDPE labeled Opioid receptor delta 1 in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50287927
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |THB:8:7:22:18.4.5|
Show InChI InChI=1S/C29H31N3O6/c33-22-9-6-19-15-23-29(35)12-11-21(30-24(34)10-5-17-3-7-20(8-4-17)32(36)37)27-28(29,25(19)26(22)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,30,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
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 31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- U-69593 labeled kappa1 opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50287928
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(Cl)cc1 |THB:8:7:22:18.4.5|
Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(34)31-21-11-12-29(35)23-15-19-6-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,31,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
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 48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- bremazocine labeled kappa2 opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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 67n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for kappa opioid receptor mediated agonistic effect in electrically stimulated guinea-pig ileum

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50287929
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Cc1ccc(\C=C\C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)cc1 |TLB:29:28:13:33.17.16|
Show InChI InChI=1S/C30H34N2O4/c1-18-2-4-19(5-3-18)8-11-25(34)31-22-12-13-30(35)24-16-21-9-10-23(33)27-26(21)29(30,28(22)36-27)14-15-32(24)17-20-6-7-20/h2-5,8-11,20,22,24,28,33,35H,6-7,12-17H2,1H3,(H,31,34)/b11-8+/t22-,24-,28+,29?,30-/m1/s1
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 171n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- bremazocine labeled kappa2 opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50248793
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,8-11,19,21,23,27,32,34H,6-7,12-17H2,(H,30,33)/b11-8+/t21-,23-,27+,28+,29-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for kappa opioid receptor mediated agonistic effect in electrically stimulated guinea-pig ileum

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50287928
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(Cl)cc1 |THB:8:7:22:18.4.5|
Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(34)31-21-11-12-29(35)23-15-19-6-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,31,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- U-69593 labeled kappa1 opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50248793
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,8-11,19,21,23,27,32,34H,6-7,12-17H2,(H,30,33)/b11-8+/t21-,23-,27+,28+,29-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for kappa opioid receptor mediated agonistic effect in mouse vas deferens(MVD) preparations

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50287927
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |THB:8:7:22:18.4.5|
Show InChI InChI=1S/C29H31N3O6/c33-22-9-6-19-15-23-29(35)12-11-21(30-24(34)10-5-17-3-7-20(8-4-17)32(36)37)27-28(29,25(19)26(22)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,30,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for kappa opioid receptor mediated agonistic effect in electrically stimulated guinea-pig ileum

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50287929
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Cc1ccc(\C=C\C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)cc1 |TLB:29:28:13:33.17.16|
Show InChI InChI=1S/C30H34N2O4/c1-18-2-4-19(5-3-18)8-11-25(34)31-22-12-13-30(35)24-16-21-9-10-23(33)27-26(21)29(30,28(22)36-27)14-15-32(24)17-20-6-7-20/h2-5,8-11,20,22,24,28,33,35H,6-7,12-17H2,1H3,(H,31,34)/b11-8+/t22-,24-,28+,29?,30-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against [3H]- bremazocine labeled kappa2 opioid receptor in guinea-pig brain homogenate.

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50287929
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...)
Show SMILES Cc1ccc(\C=C\C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)cc1 |TLB:29:28:13:33.17.16|
Show InChI InChI=1S/C30H34N2O4/c1-18-2-4-19(5-3-18)8-11-25(34)31-22-12-13-30(35)24-16-21-9-10-23(33)27-26(21)29(30,28(22)36-27)14-15-32(24)17-20-6-7-20/h2-5,8-11,20,22,24,28,33,35H,6-7,12-17H2,1H3,(H,31,34)/b11-8+/t22-,24-,28+,29?,30-/m1/s1
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n/an/a 1.71E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for kappa opioid receptor mediated agonistic effect in mouse vas deferens(MVD) preparations

Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%