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PubMed code 11755357

Compile data set for download or QSAR
Found 14 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)		BDBM50108490
PNG
((3R,6S,9S)-9-(4-Amino-butyl)-1-[(S)-2-amino-3-(4-h...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C27H35N5O5/c1-17-26(36)32(27(37)21(29)15-19-10-12-20(33)13-11-19)23(9-5-6-14-28)25(35)31-22(24(34)30-17)16-18-7-3-2-4-8-18/h2-4,7-8,10-13,17,21-23,33H,5-6,9,14-16,28-29H2,1H3,(H,30,34)(H,31,35)/t17-,21+,22+,23+/m1/s1
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n/an/a 0.110n/an/an/an/an/an/a



University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the guinea pig ileum mediated through mu opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50108487
PNG
((3R,6S,9S)-9-(4-Amino-butyl)-1-[(S)-2-amino-3-(4-h...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C29H39N5O5/c1-18(2)25-29(39)34(28(38)22(31)16-20-11-13-21(35)14-12-20)24(10-6-7-15-30)27(37)32-23(26(36)33-25)17-19-8-4-3-5-9-19/h3-5,8-9,11-14,18,22-25,35H,6-7,10,15-17,30-31H2,1-2H3,(H,32,37)(H,33,36)/t22-,23-,24-,25+/m0/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the guinea pig ileum mediated through mu opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50108487
PNG
((3R,6S,9S)-9-(4-Amino-butyl)-1-[(S)-2-amino-3-(4-h...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C29H39N5O5/c1-18(2)25-29(39)34(28(38)22(31)16-20-11-13-21(35)14-12-20)24(10-6-7-15-30)27(37)32-23(26(36)33-25)17-19-8-4-3-5-9-19/h3-5,8-9,11-14,18,22-25,35H,6-7,10,15-17,30-31H2,1-2H3,(H,32,37)(H,33,36)/t22-,23-,24-,25+/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the mouse vas deferens mediated through delta opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50108490
PNG
((3R,6S,9S)-9-(4-Amino-butyl)-1-[(S)-2-amino-3-(4-h...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C27H35N5O5/c1-17-26(36)32(27(37)21(29)15-19-10-12-20(33)13-11-19)23(9-5-6-14-28)25(35)31-22(24(34)30-17)16-18-7-3-2-4-8-18/h2-4,7-8,10-13,17,21-23,33H,5-6,9,14-16,28-29H2,1H3,(H,30,34)(H,31,35)/t17-,21+,22+,23+/m1/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the mouse vas deferens mediated through delta opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50366797
PNG
(CHEMBL1790503)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C30H41N5O5/c1-3-19(2)26-30(40)35(29(39)23(32)17-21-12-14-22(36)15-13-21)25(11-7-8-16-31)28(38)33-24(27(37)34-26)18-20-9-5-4-6-10-20/h4-6,9-10,12-15,19,23-26,36H,3,7-8,11,16-18,31-32H2,1-2H3,(H,33,38)(H,34,37)/t19-,23+,24+,25+,26-/m1/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the guinea pig ileum mediated through mu opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50108486
PNG
((3R,6S,9S)-9-(4-Amino-butyl)-1-[(S)-2-amino-3-(4-h...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C30H41N5O5/c1-19(2)16-25-30(40)35(29(39)23(32)17-21-11-13-22(36)14-12-21)26(10-6-7-15-31)28(38)33-24(27(37)34-25)18-20-8-4-3-5-9-20/h3-5,8-9,11-14,19,23-26,36H,6-7,10,15-18,31-32H2,1-2H3,(H,33,38)(H,34,37)/t23-,24-,25+,26-/m0/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the guinea pig ileum mediated through mu opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50108489
PNG
((3R,6S,9S)-9-(2-Amino-ethyl)-1-[(S)-2-amino-3-(4-h...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C25H31N5O5/c1-15-24(34)30(25(35)19(27)13-17-7-9-18(31)10-8-17)21(11-12-26)23(33)29-20(22(32)28-15)14-16-5-3-2-4-6-16/h2-10,15,19-21,31H,11-14,26-27H2,1H3,(H,28,32)(H,29,33)/t15-,19+,20+,21+/m1/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the guinea pig ileum mediated through mu opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50108486
PNG
((3R,6S,9S)-9-(4-Amino-butyl)-1-[(S)-2-amino-3-(4-h...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C30H41N5O5/c1-19(2)16-25-30(40)35(29(39)23(32)17-21-11-13-22(36)14-12-21)26(10-6-7-15-31)28(38)33-24(27(37)34-25)18-20-8-4-3-5-9-20/h3-5,8-9,11-14,19,23-26,36H,6-7,10,15-18,31-32H2,1-2H3,(H,33,38)(H,34,37)/t23-,24-,25+,26-/m0/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the mouse vas deferens mediated through delta opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50366797
PNG
(CHEMBL1790503)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C30H41N5O5/c1-3-19(2)26-30(40)35(29(39)23(32)17-21-12-14-22(36)15-13-21)25(11-7-8-16-31)28(38)33-24(27(37)34-26)18-20-9-5-4-6-10-20/h4-6,9-10,12-15,19,23-26,36H,3,7-8,11,16-18,31-32H2,1-2H3,(H,33,38)(H,34,37)/t19-,23+,24+,25+,26-/m1/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the mouse vas deferens mediated through delta opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50108491
PNG
((3S,6R,9S)-3-(2-Amino-ethyl)-4-[(S)-2-amino-3-(4-h...)
Show SMILES C[C@H]1NC[C@H](Cc2ccccc2)NC(=O)[C@H](CCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C25H33N5O4/c1-16-24(33)30(25(34)21(27)14-18-7-9-20(31)10-8-18)22(11-12-26)23(32)29-19(15-28-16)13-17-5-3-2-4-6-17/h2-10,16,19,21-22,28,31H,11-15,26-27H2,1H3,(H,29,32)/t16-,19+,21+,22+/m1/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the guinea pig ileum mediated through mu opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50108489
PNG
((3R,6S,9S)-9-(2-Amino-ethyl)-1-[(S)-2-amino-3-(4-h...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C25H31N5O5/c1-15-24(34)30(25(35)19(27)13-17-7-9-18(31)10-8-17)21(11-12-26)23(33)29-20(22(32)28-15)14-16-5-3-2-4-6-16/h2-10,15,19-21,31H,11-14,26-27H2,1H3,(H,28,32)(H,29,33)/t15-,19+,20+,21+/m1/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the mouse vas deferens mediated through delta opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50108488
PNG
(CHEMBL66706 | {(2R,5S,8S)-5-(4-Amino-butyl)-4-[(S)...)
Show SMILES NCCCC[C@@H]1N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C28H35N5O7/c29-13-5-4-8-23-26(38)31-21(15-17-6-2-1-3-7-17)25(37)32-22(16-24(35)36)28(40)33(23)27(39)20(30)14-18-9-11-19(34)12-10-18/h1-3,6-7,9-12,20-23,34H,4-5,8,13-16,29-30H2,(H,31,38)(H,32,37)(H,35,36)/t20-,21-,22+,23-/m0/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the mouse vas deferens mediated through delta opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50108488
PNG
(CHEMBL66706 | {(2R,5S,8S)-5-(4-Amino-butyl)-4-[(S)...)
Show SMILES NCCCC[C@@H]1N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C28H35N5O7/c29-13-5-4-8-23-26(38)31-21(15-17-6-2-1-3-7-17)25(37)32-22(16-24(35)36)28(40)33(23)27(39)20(30)14-18-9-11-19(34)12-10-18/h1-3,6-7,9-12,20-23,34H,4-5,8,13-16,29-30H2,(H,31,38)(H,32,37)(H,35,36)/t20-,21-,22+,23-/m0/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the guinea pig ileum mediated through mu opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50108491
PNG
((3S,6R,9S)-3-(2-Amino-ethyl)-4-[(S)-2-amino-3-(4-h...)
Show SMILES C[C@H]1NC[C@H](Cc2ccccc2)NC(=O)[C@H](CCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C25H33N5O4/c1-16-24(33)30(25(34)21(27)14-18-7-9-20(31)10-8-18)22(11-12-26)23(32)29-19(15-28-16)13-17-5-3-2-4-6-17/h2-10,16,19,21-22,28,31H,11-15,26-27H2,1H3,(H,29,32)/t16-,19+,21+,22+/m1/s1
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University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the mouse vas deferens mediated through delta opioid receptor

Bioorg Med Chem Lett 12: 213-6 (2001)


BindingDB Entry DOI: 10.7270/Q2W096FD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%