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PubMed code 6276540

Compile data set for download or QSAR
Found 20 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


(MOUSE)		BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/a 0.540n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle preparation of mouse vas deferens

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50019048
PNG
((2S,3R)-2-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-Amino-3-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C33H46N6O10/c1-18(2)13-24(32(47)39-28(19(3)41)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-30(45)26(17-40)38-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,48,49)/t19-,23+,24+,25+,26+,28+/m1/s1
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n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle preparation of mouse vas deferens

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50027405
PNG
(2-{1-[1-{1-[1-amino-2-(4-hydroxyphenyl)ethylcarbox...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C32H44N6O9S/c1-18(35-29(43)23(33)15-21-9-11-22(40)12-10-21)28(42)34-17-26(41)36-25(16-20-7-5-4-6-8-20)31(45)37-24(13-14-48-3)30(44)38-27(19(2)39)32(46)47/h4-12,18-19,23-25,27,39-40H,13-17,33H2,1-3H3,(H,34,42)(H,35,43)(H,36,41)(H,37,45)(H,38,44)(H,46,47)/t18-,19+,23-,24-,25-,27-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle preparation of mouse vas deferens

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50027410
PNG
(2-(1-{1-[1-amino-2-(4-hydroxyphenyl)ethylcarboxami...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C31H42N6O9S/c1-18(38)27(31(45)46)37-29(43)23(12-13-47-2)36-30(44)24(15-19-6-4-3-5-7-19)35-26(41)17-33-25(40)16-34-28(42)22(32)14-20-8-10-21(39)11-9-20/h3-11,18,22-24,27,38-39H,12-17,32H2,1-2H3,(H,33,40)(H,34,42)(H,35,41)(H,36,44)(H,37,43)(H,45,46)/t18-,22+,23+,24+,27+/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle preparation of mouse vas deferens

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50027408
PNG
(2-[1-[1-[1-amino-2-(4-hydroxyphenyl)-(1S)-ethylcar...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)=O)C(O)=O
Show InChI InChI=1S/C29H39N5O8S/c1-18(32-27(38)22(30)15-20-9-11-21(35)12-10-20)26(37)31-17-25(36)34(2)24(16-19-7-5-4-6-8-19)28(39)33-23(29(40)41)13-14-43(3)42/h4-12,18,22-24,35H,13-17,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)(H,40,41)/t18-,22-,23-,24-,43?/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparation of guinea pig ileum

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle preparation of mouse vas deferens

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50027408
PNG
(2-[1-[1-[1-amino-2-(4-hydroxyphenyl)-(1S)-ethylcar...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)=O)C(O)=O
Show InChI InChI=1S/C29H39N5O8S/c1-18(32-27(38)22(30)15-20-9-11-21(35)12-10-20)26(37)31-17-25(36)34(2)24(16-19-7-5-4-6-8-19)28(39)33-23(29(40)41)13-14-43(3)42/h4-12,18,22-24,35H,13-17,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)(H,40,41)/t18-,22-,23-,24-,43?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle preparation of mouse vas deferens

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50027407
PNG
(1N-[1-benzyl-2-[5-carbamoyl-(5S)-dihydro-1H-1-pyrr...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C30H40N6O6S/c1-43-15-13-23(35-28(40)22(31)16-20-9-11-21(37)12-10-20)29(41)33-18-26(38)34-24(17-19-6-3-2-4-7-19)30(42)36-14-5-8-25(36)27(32)39/h2-4,6-7,9-12,22-25,37H,5,8,13-18,31H2,1H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)/t22-,23-,24-,25-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparation of guinea pig ileum

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50027407
PNG
(1N-[1-benzyl-2-[5-carbamoyl-(5S)-dihydro-1H-1-pyrr...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C30H40N6O6S/c1-43-15-13-23(35-28(40)22(31)16-20-9-11-21(37)12-10-20)29(41)33-18-26(38)34-24(17-19-6-3-2-4-7-19)30(42)36-14-5-8-25(36)27(32)39/h2-4,6-7,9-12,22-25,37H,5,8,13-18,31H2,1H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)/t22-,23-,24-,25-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle preparation of mouse vas deferens

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparation of guinea pig ileum

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
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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TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparation of guinea pig ileum

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50027409
PNG
(1N-(1,3-dimethylbutylcarbamoylmethyl)-2-[1-amino-2...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(C)CC(C)C
Show InChI InChI=1S/C22H36N4O4S/c1-14(2)11-15(3)25-20(28)13-24-22(30)19(9-10-31-4)26-21(29)18(23)12-16-5-7-17(27)8-6-16/h5-8,14-15,18-19,27H,9-13,23H2,1-4H3,(H,24,30)(H,25,28)(H,26,29)/t15?,18-,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparation of guinea pig ileum

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50027406
PNG
(1N-[1-(1,3-dimethylbutylcarbamoylmethylcarbamoyl)-...)
Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C20H32N4O4/c1-12(2)9-13(3)23-18(26)11-22-19(27)14(4)24-20(28)17(21)10-15-5-7-16(25)8-6-15/h5-8,12-14,17,25H,9-11,21H2,1-4H3,(H,22,27)(H,23,26)(H,24,28)/t13?,14-,17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparation of guinea pig ileum

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparation of guinea pig ileum

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50027405
PNG
(2-{1-[1-{1-[1-amino-2-(4-hydroxyphenyl)ethylcarbox...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C32H44N6O9S/c1-18(35-29(43)23(33)15-21-9-11-22(40)12-10-21)28(42)34-17-26(41)36-25(16-20-7-5-4-6-8-20)31(45)37-24(13-14-48-3)30(44)38-27(19(2)39)32(46)47/h4-12,18-19,23-25,27,39-40H,13-17,33H2,1-3H3,(H,34,42)(H,35,43)(H,36,41)(H,37,45)(H,38,44)(H,46,47)/t18-,19+,23-,24-,25-,27-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparation of guinea pig ileum

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50019048
PNG
((2S,3R)-2-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-Amino-3-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C33H46N6O10/c1-18(2)13-24(32(47)39-28(19(3)41)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-30(45)26(17-40)38-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,48,49)/t19-,23+,24+,25+,26+,28+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparation of guinea pig ileum

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50027410
PNG
(2-(1-{1-[1-amino-2-(4-hydroxyphenyl)ethylcarboxami...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C31H42N6O9S/c1-18(38)27(31(45)46)37-29(43)23(12-13-47-2)36-30(44)24(15-19-6-4-3-5-7-19)35-26(41)17-33-25(40)16-34-28(42)22(32)14-20-8-10-21(39)11-9-20/h3-11,18,22-24,27,38-39H,12-17,32H2,1-2H3,(H,33,40)(H,34,42)(H,35,41)(H,36,44)(H,37,43)(H,45,46)/t18-,22+,23+,24+,27+/m1/s1
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n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparation of guinea pig ileum

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		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 390n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle preparation of mouse vas deferens

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50027409
PNG
(1N-(1,3-dimethylbutylcarbamoylmethyl)-2-[1-amino-2...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(C)CC(C)C
Show InChI InChI=1S/C22H36N4O4S/c1-14(2)11-15(3)25-20(28)13-24-22(30)19(9-10-31-4)26-21(29)18(23)12-16-5-7-17(27)8-6-16/h5-8,14-15,18-19,27H,9-13,23H2,1-4H3,(H,24,30)(H,25,28)(H,26,29)/t15?,18-,19-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle preparation of mouse vas deferens

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50027406
PNG
(1N-[1-(1,3-dimethylbutylcarbamoylmethylcarbamoyl)-...)
Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C20H32N4O4/c1-12(2)9-13(3)23-18(26)11-22-19(27)14(4)24-20(28)17(21)10-15-5-7-16(25)8-6-15/h5-8,12-14,17,25H,9-11,21H2,1-4H3,(H,22,27)(H,23,26)(H,24,28)/t13?,14-,17-/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle preparation of mouse vas deferens

J Med Chem 24: 1119-24 (1982)


BindingDB Entry DOI: 10.7270/Q2QC0411
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%