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PubMed code 12408719

Compile data set for download or QSAR
Found 21 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


(MOUSE)		BDBM50120880
PNG
(2-[(2-{2-[2-Amino-3-(3-hydroxy-phenyl)-propionylam...)
Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C28H39N7O6/c1-17(27(40)41)35(2)26(39)23(16-18-8-4-3-5-9-18)34-25(38)22(12-7-13-32-28(30)31)33-24(37)21(29)15-19-10-6-11-20(36)14-19/h3-6,8-11,14,17,21-23,36H,7,12-13,15-16,29H2,1-2H3,(H,33,37)(H,34,38)(H,40,41)(H4,30,31,32)/t17-,21-,22-,23-/m0/s1
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n/an/a 10.2n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50120878
PNG
(2-[(2-{5-Guanidino-2-[2-guanidino-3-(3-hydroxy-phe...)
Show SMILES [#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C29H41N9O6/c1-17(27(43)44)38(2)26(42)23(15-18-8-4-3-5-9-18)36-24(40)21(12-7-13-34-28(30)31)35-25(41)22(37-29(32)33)16-19-10-6-11-20(39)14-19/h3-6,8-11,14,17,21-23,39H,7,12-13,15-16H2,1-2H3,(H,35,41)(H,36,40)(H,43,44)(H4,30,31,34)(H4,32,33,37)/t17-,21-,22-,23-/m0/s1
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n/an/a 12.9n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50120875
PNG
(2-(2-{5-Guanidino-2-[2-guanidino-3-(3-hydroxy-phen...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C28H39N9O6/c1-16(26(42)43)34-24(40)21(14-17-7-3-2-4-8-17)36-23(39)20(11-6-12-33-27(29)30)35-25(41)22(37-28(31)32)15-18-9-5-10-19(38)13-18/h2-5,7-10,13,16,20-22,38H,6,11-12,14-15H2,1H3,(H,34,40)(H,35,41)(H,36,39)(H,42,43)(H4,29,30,33)(H4,31,32,37)/t16-,20-,21-,22-/m0/s1
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n/an/a 20.8n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50120876
PNG
(6-Amino-2-[(2-{5-guanidino-2-[2-guanidino-3-(3-hyd...)
Show SMILES [#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O)-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C32H48N10O6/c1-42(26(30(47)48)14-5-6-15-33)29(46)25(18-20-9-3-2-4-10-20)40-27(44)23(13-8-16-38-31(34)35)39-28(45)24(41-32(36)37)19-21-11-7-12-22(43)17-21/h2-4,7,9-12,17,23-26,43H,5-6,8,13-16,18-19,33H2,1H3,(H,39,45)(H,40,44)(H,47,48)(H4,34,35,38)(H4,36,37,41)/t23-,24-,25-,26-/m0/s1
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n/an/a 32.9n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50120877
PNG
(2-[(2-{5-Guanidino-2-[3-(3-hydroxy-phenyl)-2-methy...)
Show SMILES CN[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)C(O)=O
Show InChI InChI=1S/C29H41N7O6/c1-18(28(41)42)36(3)27(40)24(16-19-9-5-4-6-10-19)35-25(38)22(13-8-14-33-29(30)31)34-26(39)23(32-2)17-20-11-7-12-21(37)15-20/h4-7,9-12,15,18,22-24,32,37H,8,13-14,16-17H2,1-3H3,(H,34,39)(H,35,38)(H,41,42)(H4,30,31,33)/t18-,22-,23-,24-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50120879
PNG
(2-[(2-{2-[2-Dimethylamino-3-(3-hydroxy-phenyl)-pro...)
Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc(O)c1)N(C)C)C(O)=O
Show InChI InChI=1S/C30H43N7O6/c1-19(29(42)43)37(4)28(41)24(17-20-10-6-5-7-11-20)35-26(39)23(14-9-15-33-30(31)32)34-27(40)25(36(2)3)18-21-12-8-13-22(38)16-21/h5-8,10-13,16,19,23-25,38H,9,14-15,17-18H2,1-4H3,(H,34,40)(H,35,39)(H,42,43)(H4,31,32,33)/t19-,23-,24-,25-/m0/s1
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n/an/a 101n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50120874
PNG
(2-(2-{5-Guanidino-2-[3-(3-hydroxy-phenyl)-2-methox...)
Show SMILES CON[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C28H39N7O7/c1-17(27(40)41)32-25(38)22(15-18-8-4-3-5-9-18)34-24(37)21(12-7-13-31-28(29)30)33-26(39)23(35-42-2)16-19-10-6-11-20(36)14-19/h3-6,8-11,14,17,21-23,35-36H,7,12-13,15-16H2,1-2H3,(H,32,38)(H,33,39)(H,34,37)(H,40,41)(H4,29,30,31)/t17-,21-,22-,23-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 by the displacement of [3H]-deltorphin-II in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50120875
PNG
(2-(2-{5-Guanidino-2-[2-guanidino-3-(3-hydroxy-phen...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C28H39N9O6/c1-16(26(42)43)34-24(40)21(14-17-7-3-2-4-8-17)36-23(39)20(11-6-12-33-27(29)30)35-25(41)22(37-28(31)32)15-18-9-5-10-19(38)13-18/h2-5,7-10,13,16,20-22,38H,6,11-12,14-15H2,1H3,(H,34,40)(H,35,41)(H,36,39)(H,42,43)(H4,29,30,33)(H4,31,32,37)/t16-,20-,21-,22-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 by the displacement of [3H]-deltorphin-II in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50120876
PNG
(6-Amino-2-[(2-{5-guanidino-2-[2-guanidino-3-(3-hyd...)
Show SMILES [#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O)-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C32H48N10O6/c1-42(26(30(47)48)14-5-6-15-33)29(46)25(18-20-9-3-2-4-10-20)40-27(44)23(13-8-16-38-31(34)35)39-28(45)24(41-32(36)37)19-21-11-7-12-22(43)17-21/h2-4,7,9-12,17,23-26,43H,5-6,8,13-16,18-19,33H2,1H3,(H,39,45)(H,40,44)(H,47,48)(H4,34,35,38)(H4,36,37,41)/t23-,24-,25-,26-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 by the displacement of [3H]-U-69,593 in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50120878
PNG
(2-[(2-{5-Guanidino-2-[2-guanidino-3-(3-hydroxy-phe...)
Show SMILES [#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C29H41N9O6/c1-17(27(43)44)38(2)26(42)23(15-18-8-4-3-5-9-18)36-24(40)21(12-7-13-34-28(30)31)35-25(41)22(37-29(32)33)16-19-10-6-11-20(39)14-19/h3-6,8-11,14,17,21-23,39H,7,12-13,15-16H2,1-2H3,(H,35,41)(H,36,40)(H,43,44)(H4,30,31,34)(H4,32,33,37)/t17-,21-,22-,23-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 by the displacement of [3H]-deltorphin-II in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50120879
PNG
(2-[(2-{2-[2-Dimethylamino-3-(3-hydroxy-phenyl)-pro...)
Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc(O)c1)N(C)C)C(O)=O
Show InChI InChI=1S/C30H43N7O6/c1-19(29(42)43)37(4)28(41)24(17-20-10-6-5-7-11-20)35-26(39)23(14-9-15-33-30(31)32)34-27(40)25(36(2)3)18-21-12-8-13-22(38)16-21/h5-8,10-13,16,19,23-25,38H,9,14-15,17-18H2,1-4H3,(H,34,40)(H,35,39)(H,42,43)(H4,31,32,33)/t19-,23-,24-,25-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 by the displacement of [3H]-deltorphin-II in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50120876
PNG
(6-Amino-2-[(2-{5-guanidino-2-[2-guanidino-3-(3-hyd...)
Show SMILES [#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O)-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C32H48N10O6/c1-42(26(30(47)48)14-5-6-15-33)29(46)25(18-20-9-3-2-4-10-20)40-27(44)23(13-8-16-38-31(34)35)39-28(45)24(41-32(36)37)19-21-11-7-12-22(43)17-21/h2-4,7,9-12,17,23-26,43H,5-6,8,13-16,18-19,33H2,1H3,(H,39,45)(H,40,44)(H,47,48)(H4,34,35,38)(H4,36,37,41)/t23-,24-,25-,26-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 by the displacement of [3H]-deltorphin-II in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50120877
PNG
(2-[(2-{5-Guanidino-2-[3-(3-hydroxy-phenyl)-2-methy...)
Show SMILES CN[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)C(O)=O
Show InChI InChI=1S/C29H41N7O6/c1-18(28(41)42)36(3)27(40)24(16-19-9-5-4-6-10-19)35-25(38)22(13-8-14-33-29(30)31)34-26(39)23(32-2)17-20-11-7-12-21(37)15-20/h4-7,9-12,15,18,22-24,32,37H,8,13-14,16-17H2,1-3H3,(H,34,39)(H,35,38)(H,41,42)(H4,30,31,33)/t18-,22-,23-,24-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 by the displacement of [3H]-U-69,593 in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50120875
PNG
(2-(2-{5-Guanidino-2-[2-guanidino-3-(3-hydroxy-phen...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C28H39N9O6/c1-16(26(42)43)34-24(40)21(14-17-7-3-2-4-8-17)36-23(39)20(11-6-12-33-27(29)30)35-25(41)22(37-28(31)32)15-18-9-5-10-19(38)13-18/h2-5,7-10,13,16,20-22,38H,6,11-12,14-15H2,1H3,(H,34,40)(H,35,41)(H,36,39)(H,42,43)(H4,29,30,33)(H4,31,32,37)/t16-,20-,21-,22-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 by the displacement of [3H]-U-69,593 in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50120877
PNG
(2-[(2-{5-Guanidino-2-[3-(3-hydroxy-phenyl)-2-methy...)
Show SMILES CN[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)C(O)=O
Show InChI InChI=1S/C29H41N7O6/c1-18(28(41)42)36(3)27(40)24(16-19-9-5-4-6-10-19)35-25(38)22(13-8-14-33-29(30)31)34-26(39)23(32-2)17-20-11-7-12-21(37)15-20/h4-7,9-12,15,18,22-24,32,37H,8,13-14,16-17H2,1-3H3,(H,34,39)(H,35,38)(H,41,42)(H4,30,31,33)/t18-,22-,23-,24-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 by the displacement of [3H]-deltorphin-II in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50120878
PNG
(2-[(2-{5-Guanidino-2-[2-guanidino-3-(3-hydroxy-phe...)
Show SMILES [#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C29H41N9O6/c1-17(27(43)44)38(2)26(42)23(15-18-8-4-3-5-9-18)36-24(40)21(12-7-13-34-28(30)31)35-25(41)22(37-29(32)33)16-19-10-6-11-20(39)14-19/h3-6,8-11,14,17,21-23,39H,7,12-13,15-16H2,1-2H3,(H,35,41)(H,36,40)(H,43,44)(H4,30,31,34)(H4,32,33,37)/t17-,21-,22-,23-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 by the displacement of [3H]-U-69,593 in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50120880
PNG
(2-[(2-{2-[2-Amino-3-(3-hydroxy-phenyl)-propionylam...)
Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C28H39N7O6/c1-17(27(40)41)35(2)26(39)23(16-18-8-4-3-5-9-18)34-25(38)22(12-7-13-32-28(30)31)33-24(37)21(29)15-19-10-6-11-20(36)14-19/h3-6,8-11,14,17,21-23,36H,7,12-13,15-16,29H2,1-2H3,(H,33,37)(H,34,38)(H,40,41)(H4,30,31,32)/t17-,21-,22-,23-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 by the displacement of [3H]-deltorphin-II in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50120874
PNG
(2-(2-{5-Guanidino-2-[3-(3-hydroxy-phenyl)-2-methox...)
Show SMILES CON[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C28H39N7O7/c1-17(27(40)41)32-25(38)22(15-18-8-4-3-5-9-18)34-24(37)21(12-7-13-31-28(29)30)33-26(39)23(35-42-2)16-19-10-6-11-20(36)14-19/h3-6,8-11,14,17,21-23,35-36H,7,12-13,15-16H2,1-2H3,(H,32,38)(H,33,39)(H,34,37)(H,40,41)(H4,29,30,31)/t17-,21-,22-,23-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 by the displacement of [3H]-U-69,593 in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50120880
PNG
(2-[(2-{2-[2-Amino-3-(3-hydroxy-phenyl)-propionylam...)
Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C28H39N7O6/c1-17(27(40)41)35(2)26(39)23(16-18-8-4-3-5-9-18)34-25(38)22(12-7-13-32-28(30)31)33-24(37)21(29)15-19-10-6-11-20(36)14-19/h3-6,8-11,14,17,21-23,36H,7,12-13,15-16,29H2,1-2H3,(H,33,37)(H,34,38)(H,40,41)(H4,30,31,32)/t17-,21-,22-,23-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 by the displacement of [3H]-U-69,593 in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50120874
PNG
(2-(2-{5-Guanidino-2-[3-(3-hydroxy-phenyl)-2-methox...)
Show SMILES CON[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C28H39N7O7/c1-17(27(40)41)32-25(38)22(15-18-8-4-3-5-9-18)34-24(37)21(12-7-13-31-28(29)30)33-26(39)23(35-42-2)16-19-10-6-11-20(36)14-19/h3-6,8-11,14,17,21-23,35-36H,7,12-13,15-16H2,1-2H3,(H,32,38)(H,33,39)(H,34,37)(H,40,41)(H4,29,30,31)/t17-,21-,22-,23-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50120879
PNG
(2-[(2-{2-[2-Dimethylamino-3-(3-hydroxy-phenyl)-pro...)
Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc(O)c1)N(C)C)C(O)=O
Show InChI InChI=1S/C30H43N7O6/c1-19(29(42)43)37(4)28(41)24(17-20-10-6-5-7-11-20)35-26(39)23(14-9-15-33-30(31)32)34-27(40)25(36(2)3)18-21-12-8-13-22(38)16-21/h5-8,10-13,16,19,23-25,38H,9,14-15,17-18H2,1-4H3,(H,34,40)(H,35,39)(H,42,43)(H4,31,32,33)/t19-,23-,24-,25-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 by the displacement of [3H]-U-69,593 in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%