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PubMed code 15863299

Compile data set for download or QSAR
Found 8 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)		BDBM50166348
PNG
(2-Amino-N-(1-{[(1-{(S)-2-[(R)-2-(2-{(S)-2-[1-amino...)
Show SMILES C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C51H60N10O9/c1-31(56-44(53)28-36-19-23-38(63)24-20-36)47(66)54-29-45(64)58-42(26-33-11-5-3-6-12-33)50(69)60-40-15-9-10-16-41(40)61-51(70)43(27-34-13-7-4-8-14-34)59-46(65)30-55-48(67)32(2)57-49(68)39(52)25-35-17-21-37(62)22-18-35/h3-24,31-32,39,42-44,56,62-63H,25-30,52-53H2,1-2H3,(H,54,66)(H,55,67)(H,57,68)(H,58,64)(H,59,65)(H,60,69)(H,61,70)/t31-,32+,39-,42+,43-,44+/m0/s1
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n/an/a 0.720n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro agonist activity against Opioid receptor delta in mouse vas deferens

Bioorg Med Chem Lett 15: 2471-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.067
BindingDB Entry DOI: 10.7270/Q22Z169S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50166354
PNG
(2-Amino-N-(1-{[(2-{(S)-4-[(R)-2-(2-{(S)-2-[1-amino...)
Show SMILES C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C49H62N10O9/c1-31(54-42(51)28-36-15-19-38(61)20-16-36)45(64)52-29-43(62)56-40(26-33-9-5-3-6-10-33)48(67)58-21-23-59(24-22-58)49(68)41(27-34-11-7-4-8-12-34)57-44(63)30-53-46(65)32(2)55-47(66)39(50)25-35-13-17-37(60)18-14-35/h3-20,31-32,39-42,54,60-61H,21-30,50-51H2,1-2H3,(H,52,64)(H,53,65)(H,55,66)(H,56,62)(H,57,63)/t31-,32+,39-,40+,41-,42+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro agonist activity against Opioid receptor mu in guinea pig ileum/longitudinal muscle myenteric plexus

Bioorg Med Chem Lett 15: 2471-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.067
BindingDB Entry DOI: 10.7270/Q22Z169S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro agonist activity against Opioid receptor mu in guinea pig ileum/longitudinal muscle myenteric plexus

Bioorg Med Chem Lett 15: 2471-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.067
BindingDB Entry DOI: 10.7270/Q22Z169S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50166354
PNG
(2-Amino-N-(1-{[(2-{(S)-4-[(R)-2-(2-{(S)-2-[1-amino...)
Show SMILES C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C49H62N10O9/c1-31(54-42(51)28-36-15-19-38(61)20-16-36)45(64)52-29-43(62)56-40(26-33-9-5-3-6-10-33)48(67)58-21-23-59(24-22-58)49(68)41(27-34-11-7-4-8-12-34)57-44(63)30-53-46(65)32(2)55-47(66)39(50)25-35-13-17-37(60)18-14-35/h3-20,31-32,39-42,54,60-61H,21-30,50-51H2,1-2H3,(H,52,64)(H,53,65)(H,55,66)(H,56,62)(H,57,63)/t31-,32+,39-,40+,41-,42+/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro agonist activity against Opioid receptor delta in mouse vas deferens

Bioorg Med Chem Lett 15: 2471-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.067
BindingDB Entry DOI: 10.7270/Q22Z169S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro agonist activity against Opioid receptor delta in mouse vas deferens

Bioorg Med Chem Lett 15: 2471-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.067
BindingDB Entry DOI: 10.7270/Q22Z169S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50166351
PNG
(2-Amino-N-((S)-1-{[(1-{(S)-4-[(R)-2-(2-{2-[1-amino...)
Show SMILES C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C51H60N10O9/c1-31(56-44(53)28-36-15-23-40(63)24-16-36)47(66)54-29-45(64)60-42(26-33-9-5-3-6-10-33)50(69)58-37-17-19-38(20-18-37)59-51(70)43(27-34-11-7-4-8-12-34)61-46(65)30-55-48(67)32(2)57-49(68)41(52)25-35-13-21-39(62)22-14-35/h3-24,31-32,41-44,56,62-63H,25-30,52-53H2,1-2H3,(H,54,66)(H,55,67)(H,57,68)(H,58,69)(H,59,70)(H,60,64)(H,61,65)/t31-,32+,41-,42+,43-,44+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro agonist activity against Opioid receptor delta in mouse vas deferens

Bioorg Med Chem Lett 15: 2471-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.067
BindingDB Entry DOI: 10.7270/Q22Z169S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50166351
PNG
(2-Amino-N-((S)-1-{[(1-{(S)-4-[(R)-2-(2-{2-[1-amino...)
Show SMILES C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C51H60N10O9/c1-31(56-44(53)28-36-15-23-40(63)24-16-36)47(66)54-29-45(64)60-42(26-33-9-5-3-6-10-33)50(69)58-37-17-19-38(20-18-37)59-51(70)43(27-34-11-7-4-8-12-34)61-46(65)30-55-48(67)32(2)57-49(68)41(52)25-35-13-21-39(62)22-14-35/h3-24,31-32,41-44,56,62-63H,25-30,52-53H2,1-2H3,(H,54,66)(H,55,67)(H,57,68)(H,58,69)(H,59,70)(H,60,64)(H,61,65)/t31-,32+,41-,42+,43-,44+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro agonist activity against Opioid receptor mu in guinea pig ileum/longitudinal muscle myenteric plexus

Bioorg Med Chem Lett 15: 2471-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.067
BindingDB Entry DOI: 10.7270/Q22Z169S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50166348
PNG
(2-Amino-N-(1-{[(1-{(S)-2-[(R)-2-(2-{(S)-2-[1-amino...)
Show SMILES C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C51H60N10O9/c1-31(56-44(53)28-36-19-23-38(63)24-20-36)47(66)54-29-45(64)58-42(26-33-11-5-3-6-12-33)50(69)60-40-15-9-10-16-41(40)61-51(70)43(27-34-13-7-4-8-14-34)59-46(65)30-55-48(67)32(2)57-49(68)39(52)25-35-17-21-37(62)22-18-35/h3-24,31-32,39,42-44,56,62-63H,25-30,52-53H2,1-2H3,(H,54,66)(H,55,67)(H,57,68)(H,58,64)(H,59,65)(H,60,69)(H,61,70)/t31-,32+,39-,42+,43-,44+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro agonist activity against Opioid receptor mu in guinea pig ileum/longitudinal muscle myenteric plexus

Bioorg Med Chem Lett 15: 2471-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.067
BindingDB Entry DOI: 10.7270/Q22Z169S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%