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PubMed code 15267245

Compile data set for download or QSAR
Found 10 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)		BDBM50150807
PNG
((R)-2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C32H34N4O5/c1-18-11-23(37)12-19(2)25(18)15-26(33)31(39)36-17-21-8-4-3-7-20(21)14-29(36)30(38)35-28(32(40)41)13-22-16-34-27-10-6-5-9-24(22)27/h3-12,16,26,28-29,34,37H,13-15,17,33H2,1-2H3,(H,35,38)(H,40,41)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor mu 1 in guinea pig ileum assay

J Med Chem 47: 4066-71 (2004)


Article DOI: 10.1021/jm040033f
BindingDB Entry DOI: 10.7270/Q2P55N09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50150805
PNG
(2-[2-Amino-3-((R)-4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES C[C@@H](NC(=O)C1Cc2ccccc2CN1C(=O)C(N)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C24H30N4O4/c1-13-8-18(29)9-14(2)19(13)11-20(25)24(32)28-12-17-7-5-4-6-16(17)10-21(28)23(31)27-15(3)22(26)30/h4-9,15,20-21,29H,10-12,25H2,1-3H3,(H2,26,30)(H,27,31)/t15-,20?,21?/m1/s1
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n/an/a 4.74E+3n/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor mu 1 in guinea pig ileum assay

J Med Chem 47: 4066-71 (2004)


Article DOI: 10.1021/jm040033f
BindingDB Entry DOI: 10.7270/Q2P55N09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50150802
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C27H37N7O4/c1-15-10-19(35)11-16(2)20(15)13-21(28)26(38)34-14-18-7-4-3-6-17(18)12-23(34)25(37)33-22(24(29)36)8-5-9-32-27(30)31/h3-4,6-7,10-11,21-23,35H,5,8-9,12-14,28H2,1-2H3,(H2,29,36)(H,33,37)(H4,30,31,32)
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor mu 1 in guinea pig ileum assay

J Med Chem 47: 4066-71 (2004)


Article DOI: 10.1021/jm040033f
BindingDB Entry DOI: 10.7270/Q2P55N09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50150799
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCCN)C(N)=O
Show InChI InChI=1S/C27H37N5O4/c1-16-11-20(33)12-17(2)21(16)14-22(29)27(36)32-15-19-8-4-3-7-18(19)13-24(32)26(35)31-23(25(30)34)9-5-6-10-28/h3-4,7-8,11-12,22-24,33H,5-6,9-10,13-15,28-29H2,1-2H3,(H2,30,34)(H,31,35)
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n/an/a 7.87E+3n/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor mu 1 in guinea pig ileum assay

J Med Chem 47: 4066-71 (2004)


Article DOI: 10.1021/jm040033f
BindingDB Entry DOI: 10.7270/Q2P55N09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50150809
PNG
(2-({2-[2-Amino-3-((R)-4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES C[C@@H](NC(=O)C1Cc2ccccc2CN1C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C24H29N3O5/c1-13-8-18(28)9-14(2)19(13)11-20(25)23(30)27-12-17-7-5-4-6-16(17)10-21(27)22(29)26-15(3)24(31)32/h4-9,15,20-21,28H,10-12,25H2,1-3H3,(H,26,29)(H,31,32)/t15-,20?,21?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor mu 1 in guinea pig ileum assay

J Med Chem 47: 4066-71 (2004)


Article DOI: 10.1021/jm040033f
BindingDB Entry DOI: 10.7270/Q2P55N09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50150797
PNG
(2-[2-Amino-3-((S)-4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)C(N)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C24H30N4O4/c1-13-8-18(29)9-14(2)19(13)11-20(25)24(32)28-12-17-7-5-4-6-16(17)10-21(28)23(31)27-15(3)22(26)30/h4-9,15,20-21,29H,10-12,25H2,1-3H3,(H2,26,30)(H,27,31)/t15-,20?,21?/m0/s1
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University of Cagliary

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor mu 1 in guinea pig ileum assay

J Med Chem 47: 4066-71 (2004)


Article DOI: 10.1021/jm040033f
BindingDB Entry DOI: 10.7270/Q2P55N09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50150798
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NCC(N)=O
Show InChI InChI=1S/C23H28N4O4/c1-13-7-17(28)8-14(2)18(13)10-19(24)23(31)27-12-16-6-4-3-5-15(16)9-20(27)22(30)26-11-21(25)29/h3-8,19-20,28H,9-12,24H2,1-2H3,(H2,25,29)(H,26,30)
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University of Cagliary

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor mu 1 in guinea pig ileum assay

J Med Chem 47: 4066-71 (2004)


Article DOI: 10.1021/jm040033f
BindingDB Entry DOI: 10.7270/Q2P55N09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50150806
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CO)C(N)=O
Show InChI InChI=1S/C24H30N4O5/c1-13-7-17(30)8-14(2)18(13)10-19(25)24(33)28-11-16-6-4-3-5-15(16)9-21(28)23(32)27-20(12-29)22(26)31/h3-8,19-21,29-30H,9-12,25H2,1-2H3,(H2,26,31)(H,27,32)
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University of Cagliary

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor mu 1 in guinea pig ileum assay

J Med Chem 47: 4066-71 (2004)


Article DOI: 10.1021/jm040033f
BindingDB Entry DOI: 10.7270/Q2P55N09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50150810
PNG
((R)-2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C27H31N5O5/c1-15-7-20(33)8-16(2)21(15)11-22(28)26(35)32-13-18-6-4-3-5-17(18)9-24(32)25(34)31-23(27(36)37)10-19-12-29-14-30-19/h3-8,12,14,22-24,33H,9-11,13,28H2,1-2H3,(H,29,30)(H,31,34)(H,36,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor mu 1 in guinea pig ileum assay

J Med Chem 47: 4066-71 (2004)


Article DOI: 10.1021/jm040033f
BindingDB Entry DOI: 10.7270/Q2P55N09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50150804
PNG
((R)-2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CO)C(O)=O
Show InChI InChI=1S/C24H29N3O6/c1-13-7-17(29)8-14(2)18(13)10-19(25)23(31)27-11-16-6-4-3-5-15(16)9-21(27)22(30)26-20(12-28)24(32)33/h3-8,19-21,28-29H,9-12,25H2,1-2H3,(H,26,30)(H,32,33)
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University of Cagliary

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor mu 1 in guinea pig ileum assay

J Med Chem 47: 4066-71 (2004)


Article DOI: 10.1021/jm040033f
BindingDB Entry DOI: 10.7270/Q2P55N09
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%