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PubMed code 12166947

Compile data set for download or QSAR
Found 30 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


(Homo sapiens (Human))		BDBM50117263
PNG
((3R,6S,12S)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21-/m0/s1
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 0.630n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is in between (0.62-0.65)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50117262
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23-/m0/s1
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 0.790n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (0.66-0.95)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50117264
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21+,23-/m0/s1
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 0.930n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (0.35-2.5)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50117261
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21+/m0/s1
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 2n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (1.7-2.3)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50117261
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21+/m0/s1
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 2n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (1.8-2.2)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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 2.20n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (1-3.9)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50117263
PNG
((3R,6S,12S)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21-/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (1.3-3.7)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		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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 17n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (6.8-43)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50117262
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23-/m0/s1
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 130n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (110-150)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		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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 150n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (63-360)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		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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 260n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane;Range is in between (1400-1900)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50117264
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21+,23-/m0/s1
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 630n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (580-680)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50117262
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane;Range is in between (1400-1900)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50117261
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21+/m0/s1
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 1.60E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane;Range is in between (1400-1900)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50117263
PNG
((3R,6S,12S)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21-/m0/s1
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 6.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane; range is in between (4700-8500)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50117264
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21+,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane;Range is in between (1400-1900)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50117262
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of mouse vas deference (MVD, delta receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50117263
PNG
((3R,6S,12S)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of mouse vas deferens (MVD, delta receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50117261
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21+/m0/s1
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n/an/a 0.560n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of guinea pig ileum (GPI, mu receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50117263
PNG
((3R,6S,12S)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of guinea pig ileum (GPI, mu receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50117261
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of mouse vas deferens (MVD, delta receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50117264
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21+,23-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of mouse vas deference (MVD, delta receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of mouse vas deference (MVD, delta receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
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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n/an/a 59n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of guinea pig ileum (GPI, mu receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50117262
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of guinea pig ileum (GPI, mu receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
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 644n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of mouse vas deference (MVD, delta receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50117264
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21+,23-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of guinea pig ileum (GPI, mu receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of guinea pig ileum (GPI, mu receptor)

J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%