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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50035694   
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)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019839
PNG
((2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino...)
Show SMILES COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H34N4O7S/c1-37-23(32)16-28-25(34)22(15-17-6-4-3-5-7-17)30-26(35)21(12-13-38(2)36)29-24(33)20(27)14-18-8-10-19(31)11-9-18/h3-11,20-22,31H,12-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,30,35)/t20-,21-,22-,38?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019829
PNG
(CHEMBL2372402 | N-[1-(Carbamoylmethyl-carbamoyl)-2...)
Show SMILES [#6][S+]([#8-])[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C26H35N7O6S/c1-40(39)12-11-19(31-25(38)21(33-26(28)29)14-17-7-9-18(34)10-8-17)24(37)32-20(23(36)30-15-22(27)35)13-16-5-3-2-4-6-16/h2-10,19-21,34H,11-15H2,1H3,(H2,27,35)(H,30,36)(H,31,38)(H,32,37)(H4,28,29,33)/t19-,20-,21-,40?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019831
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...)
Show SMILES CN(CC(N)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H35N5O6S/c1-31(16-23(28)33)26(36)22(15-17-6-4-3-5-7-17)30-25(35)21(12-13-38(2)37)29-24(34)20(27)14-18-8-10-19(32)11-9-18/h3-11,20-22,32H,12-16,27H2,1-2H3,(H2,28,33)(H,29,34)(H,30,35)/t20-,21-,22-,38?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019836
PNG
(CHEMBL2372400 | [(2-{2-[2-Amino-3-(4-hydroxy-pheny...)
Show SMILES COC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H36N4O7S/c1-31(17-24(33)38-2)27(36)23(16-18-7-5-4-6-8-18)30-26(35)22(13-14-39(3)37)29-25(34)21(28)15-19-9-11-20(32)12-10-19/h4-12,21-23,32H,13-17,28H2,1-3H3,(H,29,34)(H,30,35)/t21-,22-,23-,39?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019834
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...)
Show SMILES C[S+]([O-])CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C25H33N5O6S/c1-37(36)12-11-20(29-23(33)19(26)13-17-7-9-18(31)10-8-17)25(35)30-21(24(34)28-15-22(27)32)14-16-5-3-2-4-6-16/h2-10,19-21,31H,11-15,26H2,1H3,(H2,27,32)(H,28,34)(H,29,33)(H,30,35)/t19-,20-,21-,37?/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019835
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES COC(=O)C(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H36N4O7S/c1-17(27(36)38-2)29-26(35)23(16-18-7-5-4-6-8-18)31-25(34)22(13-14-39(3)37)30-24(33)21(28)15-19-9-11-20(32)12-10-19/h4-12,17,21-23,32H,13-16,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)/t17?,21-,22-,23-,39?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019837
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C26H35N5O6S/c1-16(23(28)33)29-26(36)22(15-17-6-4-3-5-7-17)31-25(35)21(12-13-38(2)37)30-24(34)20(27)14-18-8-10-19(32)11-9-18/h3-11,16,20-22,32H,12-15,27H2,1-2H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,35)/t16?,20-,21-,22-,38?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019830
PNG
(CHEMBL2372395 | [(2-{2-[2-Guanidino-3-(4-hydroxy-p...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6][S+]([#6])[#8-])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C28H38N6O7S/c1-34(17-24(36)41-2)27(39)23(16-18-7-5-4-6-8-18)32-25(37)21(13-14-42(3)40)31-26(38)22(33-28(29)30)15-19-9-11-20(35)12-10-19/h4-12,21-23,35H,13-17H2,1-3H3,(H,31,38)(H,32,37)(H4,29,30,33)/t21-,22-,23-,42?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019832
PNG
((2-{2-[2-Guanidino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6][S+]([#6])[#8-])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C27H36N6O7S/c1-40-23(35)16-30-24(36)21(14-17-6-4-3-5-7-17)32-25(37)20(12-13-41(2)39)31-26(38)22(33-27(28)29)15-18-8-10-19(34)11-9-18/h3-11,20-22,34H,12-16H2,1-2H3,(H,30,36)(H,31,38)(H,32,37)(H4,28,29,33)/t20-,21-,22-,41?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019828
PNG
(CHEMBL290737 | Dermorphin(1-4)amide)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-22(32)18(24)11-16-7-9-17(29)10-8-16)21(31)28-19(23(33)26-13-20(25)30)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,30)(H,26,33)(H,27,32)(H,28,31)/t14-,18-,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019840
PNG
((2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino...)
Show SMILES C[S+]([O-])CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H32N4O7S/c1-37(36)12-11-20(28-23(33)19(26)13-17-7-9-18(30)10-8-17)25(35)29-21(24(34)27-15-22(31)32)14-16-5-3-2-4-6-16/h2-10,19-21,30H,11-15,26H2,1H3,(H,27,34)(H,28,33)(H,29,35)(H,31,32)/t19-,20-,21-,37?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019827
PNG
(CHEMBL2372401 | [(2-{2-[2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CN(CC(O)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H34N4O7S/c1-30(16-23(32)33)26(36)22(15-17-6-4-3-5-7-17)29-25(35)21(12-13-38(2)37)28-24(34)20(27)14-18-8-10-19(31)11-9-18/h3-11,20-22,31H,12-16,27H2,1-2H3,(H,28,34)(H,29,35)(H,32,33)/t20-,21-,22-,38?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019833
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C26H34N4O7S/c1-16(26(35)36)28-25(34)22(15-17-6-4-3-5-7-17)30-24(33)21(12-13-38(2)37)29-23(32)20(27)14-18-8-10-19(31)11-9-18/h3-11,16,20-22,31H,12-15,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t16?,20-,21-,22-,38?/m0/s1
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019830
PNG
(CHEMBL2372395 | [(2-{2-[2-Guanidino-3-(4-hydroxy-p...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6][S+]([#6])[#8-])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C28H38N6O7S/c1-34(17-24(36)41-2)27(39)23(16-18-7-5-4-6-8-18)32-25(37)21(13-14-42(3)40)31-26(38)22(33-28(29)30)15-19-9-11-20(35)12-10-19/h4-12,21-23,35H,13-17H2,1-3H3,(H,31,38)(H,32,37)(H4,29,30,33)/t21-,22-,23-,42?/m0/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 185n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019838
PNG
(2-(2-{2-[3-(4-Hydroxy-phenyl)-2-(N'-methyl-guanidi...)
Show SMILES CNC(=N)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC[S+](C)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C(=O)OC
Show InChI InChI=1S/C29H40N6O7S/c1-18(28(40)42-3)32-26(38)23(16-19-8-6-5-7-9-19)34-25(37)22(14-15-43(4)41)33-27(39)24(35-29(30)31-2)17-20-10-12-21(36)13-11-20/h5-13,18,22-24,36H,14-17H2,1-4H3,(H,32,38)(H,33,39)(H,34,37)(H3,30,31,35)/t18?,22-,23-,24-,43?/m0/s1
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019832
PNG
((2-{2-[2-Guanidino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6][S+]([#6])[#8-])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C27H36N6O7S/c1-40-23(35)16-30-24(36)21(14-17-6-4-3-5-7-17)32-25(37)20(12-13-41(2)39)31-26(38)22(33-27(28)29)15-18-8-10-19(34)11-9-18/h3-11,20-22,34H,12-16H2,1-2H3,(H,30,36)(H,31,38)(H,32,37)(H4,28,29,33)/t20-,21-,22-,41?/m0/s1
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n/an/a 285n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019829
PNG
(CHEMBL2372402 | N-[1-(Carbamoylmethyl-carbamoyl)-2...)
Show SMILES [#6][S+]([#8-])[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C26H35N7O6S/c1-40(39)12-11-19(31-25(38)21(33-26(28)29)14-17-7-9-18(34)10-8-17)24(37)32-20(23(36)30-15-22(27)35)13-16-5-3-2-4-6-16/h2-10,19-21,34H,11-15H2,1H3,(H2,27,35)(H,30,36)(H,31,38)(H,32,37)(H4,28,29,33)/t19-,20-,21-,40?/m0/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019834
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...)
Show SMILES C[S+]([O-])CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C25H33N5O6S/c1-37(36)12-11-20(29-23(33)19(26)13-17-7-9-18(31)10-8-17)25(35)30-21(24(34)28-15-22(27)32)14-16-5-3-2-4-6-16/h2-10,19-21,31H,11-15,26H2,1H3,(H2,27,32)(H,28,34)(H,29,33)(H,30,35)/t19-,20-,21-,37?/m0/s1
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n/an/a 312n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019831
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...)
Show SMILES CN(CC(N)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H35N5O6S/c1-31(16-23(28)33)26(36)22(15-17-6-4-3-5-7-17)30-25(35)21(12-13-38(2)37)29-24(34)20(27)14-18-8-10-19(32)11-9-18/h3-11,20-22,32H,12-16,27H2,1-2H3,(H2,28,33)(H,29,34)(H,30,35)/t20-,21-,22-,38?/m0/s1
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n/an/a 440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019836
PNG
(CHEMBL2372400 | [(2-{2-[2-Amino-3-(4-hydroxy-pheny...)
Show SMILES COC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H36N4O7S/c1-31(17-24(33)38-2)27(36)23(16-18-7-5-4-6-8-18)30-26(35)22(13-14-39(3)37)29-25(34)21(28)15-19-9-11-20(32)12-10-19/h4-12,21-23,32H,13-17,28H2,1-3H3,(H,29,34)(H,30,35)/t21-,22-,23-,39?/m0/s1
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n/an/a 510n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 530n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019828
PNG
(CHEMBL290737 | Dermorphin(1-4)amide)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-22(32)18(24)11-16-7-9-17(29)10-8-16)21(31)28-19(23(33)26-13-20(25)30)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,30)(H,26,33)(H,27,32)(H,28,31)/t14-,18-,19-/m0/s1
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n/an/a 818n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019839
PNG
((2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino...)
Show SMILES COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H34N4O7S/c1-37-23(32)16-28-25(34)22(15-17-6-4-3-5-7-17)30-26(35)21(12-13-38(2)36)29-24(33)20(27)14-18-8-10-19(31)11-9-18/h3-11,20-22,31H,12-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,30,35)/t20-,21-,22-,38?/m0/s1
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n/an/a 850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019837
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C26H35N5O6S/c1-16(23(28)33)29-26(36)22(15-17-6-4-3-5-7-17)31-25(35)21(12-13-38(2)37)30-24(34)20(27)14-18-8-10-19(32)11-9-18/h3-11,16,20-22,32H,12-15,27H2,1-2H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,35)/t16?,20-,21-,22-,38?/m0/s1
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n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019835
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES COC(=O)C(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H36N4O7S/c1-17(27(36)38-2)29-26(35)23(16-18-7-5-4-6-8-18)31-25(34)22(13-14-39(3)37)30-24(33)21(28)15-19-9-11-20(32)12-10-19/h4-12,17,21-23,32H,13-16,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)/t17?,21-,22-,23-,39?/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019840
PNG
((2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino...)
Show SMILES C[S+]([O-])CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H32N4O7S/c1-37(36)12-11-20(28-23(33)19(26)13-17-7-9-18(30)10-8-17)25(35)29-21(24(34)27-15-22(31)32)14-16-5-3-2-4-6-16/h2-10,19-21,30H,11-15,26H2,1H3,(H,27,34)(H,28,33)(H,29,35)(H,31,32)/t19-,20-,21-,37?/m0/s1
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n/an/a 1.98E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019827
PNG
(CHEMBL2372401 | [(2-{2-[2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CN(CC(O)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H34N4O7S/c1-30(16-23(32)33)26(36)22(15-17-6-4-3-5-7-17)29-25(35)21(12-13-38(2)37)28-24(34)20(27)14-18-8-10-19(31)11-9-18/h3-11,20-22,31H,12-16,27H2,1-2H3,(H,28,34)(H,29,35)(H,32,33)/t20-,21-,22-,38?/m0/s1
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n/an/a 2.12E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019833
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C26H34N4O7S/c1-16(26(35)36)28-25(34)22(15-17-6-4-3-5-7-17)30-24(33)21(12-13-38(2)37)29-23(32)20(27)14-18-8-10-19(31)11-9-18/h3-11,16,20-22,31H,12-15,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t16?,20-,21-,22-,38?/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019838
PNG
(2-(2-{2-[3-(4-Hydroxy-phenyl)-2-(N'-methyl-guanidi...)
Show SMILES CNC(=N)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC[S+](C)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C(=O)OC
Show InChI InChI=1S/C29H40N6O7S/c1-18(28(40)42-3)32-26(38)23(16-19-8-6-5-7-9-19)34-25(37)22(14-15-43(4)41)33-27(39)24(35-29(30)31-2)17-20-10-12-21(36)13-11-20/h5-13,18,22-24,36H,14-17H2,1-4H3,(H,32,38)(H,33,39)(H,34,37)(H3,30,31,35)/t18?,22-,23-,24-,43?/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019828
PNG
(CHEMBL290737 | Dermorphin(1-4)amide)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-22(32)18(24)11-16-7-9-17(29)10-8-16)21(31)28-19(23(33)26-13-20(25)30)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,30)(H,26,33)(H,27,32)(H,28,31)/t14-,18-,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019840
PNG
((2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino...)
Show SMILES C[S+]([O-])CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H32N4O7S/c1-37(36)12-11-20(28-23(33)19(26)13-17-7-9-18(30)10-8-17)25(35)29-21(24(34)27-15-22(31)32)14-16-5-3-2-4-6-16/h2-10,19-21,30H,11-15,26H2,1H3,(H,27,34)(H,28,33)(H,29,35)(H,31,32)/t19-,20-,21-,37?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019831
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...)
Show SMILES CN(CC(N)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H35N5O6S/c1-31(16-23(28)33)26(36)22(15-17-6-4-3-5-7-17)30-25(35)21(12-13-38(2)37)29-24(34)20(27)14-18-8-10-19(32)11-9-18/h3-11,20-22,32H,12-16,27H2,1-2H3,(H2,28,33)(H,29,34)(H,30,35)/t20-,21-,22-,38?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019833
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C26H34N4O7S/c1-16(26(35)36)28-25(34)22(15-17-6-4-3-5-7-17)30-24(33)21(12-13-38(2)37)29-23(32)20(27)14-18-8-10-19(31)11-9-18/h3-11,16,20-22,31H,12-15,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t16?,20-,21-,22-,38?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019830
PNG
(CHEMBL2372395 | [(2-{2-[2-Guanidino-3-(4-hydroxy-p...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6][S+]([#6])[#8-])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C28H38N6O7S/c1-34(17-24(36)41-2)27(39)23(16-18-7-5-4-6-8-18)32-25(37)21(13-14-42(3)40)31-26(38)22(33-28(29)30)15-19-9-11-20(35)12-10-19/h4-12,21-23,35H,13-17H2,1-3H3,(H,31,38)(H,32,37)(H4,29,30,33)/t21-,22-,23-,42?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019834
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...)
Show SMILES C[S+]([O-])CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C25H33N5O6S/c1-37(36)12-11-20(29-23(33)19(26)13-17-7-9-18(31)10-8-17)25(35)30-21(24(34)28-15-22(27)32)14-16-5-3-2-4-6-16/h2-10,19-21,31H,11-15,26H2,1H3,(H2,27,32)(H,28,34)(H,29,33)(H,30,35)/t19-,20-,21-,37?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019838
PNG
(2-(2-{2-[3-(4-Hydroxy-phenyl)-2-(N'-methyl-guanidi...)
Show SMILES CNC(=N)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC[S+](C)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C(=O)OC
Show InChI InChI=1S/C29H40N6O7S/c1-18(28(40)42-3)32-26(38)23(16-19-8-6-5-7-9-19)34-25(37)22(14-15-43(4)41)33-27(39)24(35-29(30)31-2)17-20-10-12-21(36)13-11-20/h5-13,18,22-24,36H,14-17H2,1-4H3,(H,32,38)(H,33,39)(H,34,37)(H3,30,31,35)/t18?,22-,23-,24-,43?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019835
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES COC(=O)C(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H36N4O7S/c1-17(27(36)38-2)29-26(35)23(16-18-7-5-4-6-8-18)31-25(34)22(13-14-39(3)37)30-24(33)21(28)15-19-9-11-20(32)12-10-19/h4-12,17,21-23,32H,13-16,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)/t17?,21-,22-,23-,39?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019837
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C26H35N5O6S/c1-16(23(28)33)29-26(36)22(15-17-6-4-3-5-7-17)31-25(35)21(12-13-38(2)37)30-24(34)20(27)14-18-8-10-19(32)11-9-18/h3-11,16,20-22,32H,12-15,27H2,1-2H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,35)/t16?,20-,21-,22-,38?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019832
PNG
((2-{2-[2-Guanidino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6][S+]([#6])[#8-])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C27H36N6O7S/c1-40-23(35)16-30-24(36)21(14-17-6-4-3-5-7-17)32-25(37)20(12-13-41(2)39)31-26(38)22(33-27(28)29)15-18-8-10-19(34)11-9-18/h3-11,20-22,34H,12-16H2,1-2H3,(H,30,36)(H,31,38)(H,32,37)(H4,28,29,33)/t20-,21-,22-,41?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019839
PNG
((2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino...)
Show SMILES COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H34N4O7S/c1-37-23(32)16-28-25(34)22(15-17-6-4-3-5-7-17)30-26(35)21(12-13-38(2)36)29-24(33)20(27)14-18-8-10-19(31)11-9-18/h3-11,20-22,31H,12-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,30,35)/t20-,21-,22-,38?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019829
PNG
(CHEMBL2372402 | N-[1-(Carbamoylmethyl-carbamoyl)-2...)
Show SMILES [#6][S+]([#8-])[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C26H35N7O6S/c1-40(39)12-11-19(31-25(38)21(33-26(28)29)14-17-7-9-18(34)10-8-17)24(37)32-20(23(36)30-15-22(27)35)13-16-5-3-2-4-6-16/h2-10,19-21,34H,11-15H2,1H3,(H2,27,35)(H,30,36)(H,31,38)(H,32,37)(H4,28,29,33)/t19-,20-,21-,40?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019827
PNG
(CHEMBL2372401 | [(2-{2-[2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CN(CC(O)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H34N4O7S/c1-30(16-23(32)33)26(36)22(15-17-6-4-3-5-7-17)29-25(35)21(12-13-38(2)37)28-24(34)20(27)14-18-8-10-19(31)11-9-18/h3-11,20-22,31H,12-16,27H2,1-2H3,(H,28,34)(H,29,35)(H,32,33)/t20-,21-,22-,38?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019836
PNG
(CHEMBL2372400 | [(2-{2-[2-Amino-3-(4-hydroxy-pheny...)
Show SMILES COC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H36N4O7S/c1-31(17-24(33)38-2)27(36)23(16-18-7-5-4-6-8-18)30-26(35)22(13-14-39(3)37)29-25(34)21(28)15-19-9-11-20(32)12-10-19/h4-12,21-23,32H,13-17,28H2,1-3H3,(H,29,34)(H,30,35)/t21-,22-,23-,39?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair