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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50007179   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059366
PNG
(((S)-2-{(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-h...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C37H53N7O9/c1-20(2)29(34(51)39-19-28(46)47)42-35(52)30(21(3)4)43-36(53)37(6,7)44-33(50)27(18-23-11-9-8-10-12-23)41-31(48)22(5)40-32(49)26(38)17-24-13-15-25(45)16-14-24/h8-16,20-22,26-27,29-30,45H,17-19,38H2,1-7H3,(H,39,51)(H,40,49)(H,41,48)(H,42,52)(H,43,53)(H,44,50)(H,46,47)/t22-,26+,27+,29+,30+/m1/s1
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0.110n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059370
PNG
((S)-3-((S)-2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-20(2)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(18-29(49)50)42-33(52)26(17-22-10-8-7-9-11-22)43-37(56)38(5,6)46-32(51)25(39)16-23-12-14-24(47)15-13-23/h7-15,20-21,25-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t25-,26-,27-,30-,31-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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0.150n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059367
PNG
((S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H54N8O8/c1-20(2)29(34(51)40-19-28(39)47)43-35(52)30(21(3)4)44-36(53)37(6,7)45-33(50)27(18-23-11-9-8-10-12-23)42-31(48)22(5)41-32(49)26(38)17-24-13-15-25(46)16-14-24/h8-16,20-22,26-27,29-30,46H,17-19,38H2,1-7H3,(H2,39,47)(H,40,51)(H,41,49)(H,42,48)(H,43,52)(H,44,53)(H,45,50)/t22-,26+,27+,29+,30+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50059367
PNG
((S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H54N8O8/c1-20(2)29(34(51)40-19-28(39)47)43-35(52)30(21(3)4)44-36(53)37(6,7)45-33(50)27(18-23-11-9-8-10-12-23)42-31(48)22(5)41-32(49)26(38)17-24-13-15-25(46)16-14-24/h8-16,20-22,26-27,29-30,46H,17-19,38H2,1-7H3,(H2,39,47)(H,40,51)(H,41,49)(H,42,48)(H,43,52)(H,44,53)(H,45,50)/t22-,26+,27+,29+,30+/m1/s1
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0.430n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059371
PNG
((S)-3-(2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H50N8O10/c1-15(2)24(29(48)35-14-22(34)42)39-30(49)25(16(3)4)38-28(47)21(13-23(43)44)37-31(50)32(6,7)40-26(45)17(5)36-27(46)20(33)12-18-8-10-19(41)11-9-18/h8-11,15-17,20-21,24-25,41H,12-14,33H2,1-7H3,(H2,34,42)(H,35,48)(H,36,46)(H,37,50)(H,38,47)(H,39,49)(H,40,45)(H,43,44)/t17-,20+,21+,24+,25+/m1/s1
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0.800n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059369
PNG
((R)-3-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C33H52N8O10/c1-16(2)24(28(48)36-15-22(35)43)39-29(49)25(17(3)4)38-27(47)21(14-23(44)45)37-30(50)32(5,6)41-31(51)33(7,8)40-26(46)20(34)13-18-9-11-19(42)12-10-18/h9-12,16-17,20-21,24-25,42H,13-15,34H2,1-8H3,(H2,35,43)(H,36,48)(H,37,50)(H,38,47)(H,39,49)(H,40,46)(H,41,51)(H,44,45)/t20-,21+,24-,25-/m0/s1
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3.62n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50059366
PNG
(((S)-2-{(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-h...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C37H53N7O9/c1-20(2)29(34(51)39-19-28(46)47)42-35(52)30(21(3)4)43-36(53)37(6,7)44-33(50)27(18-23-11-9-8-10-12-23)41-31(48)22(5)40-32(49)26(38)17-24-13-15-25(45)16-14-24/h8-16,20-22,26-27,29-30,45H,17-19,38H2,1-7H3,(H,39,51)(H,40,49)(H,41,48)(H,42,52)(H,43,53)(H,44,50)(H,46,47)/t22-,26+,27+,29+,30+/m1/s1
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4.48n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059372
PNG
((S)-3-((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C31H48N8O10/c1-14(2)24(30(48)34-13-22(33)41)39-31(49)25(15(3)4)38-29(47)21(12-23(42)43)37-27(45)17(6)35-26(44)16(5)36-28(46)20(32)11-18-7-9-19(40)10-8-18/h7-10,14-17,20-21,24-25,40H,11-13,32H2,1-6H3,(H2,33,41)(H,34,48)(H,35,44)(H,36,46)(H,37,45)(H,38,47)(H,39,49)(H,42,43)/t16-,17-,20+,21+,24+,25+/m1/s1
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5.72n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059373
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C31H48N8O10/c1-14(2)24(30(48)34-13-22(33)41)39-31(49)25(15(3)4)38-29(47)21(12-23(42)43)37-27(45)17(6)35-26(44)16(5)36-28(46)20(32)11-18-7-9-19(40)10-8-18/h7-10,14-17,20-21,24-25,40H,11-13,32H2,1-6H3,(H2,33,41)(H,34,48)(H,35,44)(H,36,46)(H,37,45)(H,38,47)(H,39,49)(H,42,43)/t16-,17+,20+,21+,24+,25+/m1/s1
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15.5n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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147n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50059370
PNG
((S)-3-((S)-2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-20(2)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(18-29(49)50)42-33(52)26(17-22-10-8-7-9-11-22)43-37(56)38(5,6)46-32(51)25(39)16-23-12-14-24(47)15-13-23/h7-15,20-21,25-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t25-,26-,27-,30-,31-/m0/s1
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1.02E+3n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50454611
PNG
(CHEMBL2370048)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C29H45N7O9/c1-14(2)22(26(43)32-13-20(31)38)35-27(44)23(15(3)4)34-25(42)19(12-21(39)40)33-28(45)29(5,6)36-24(41)18(30)11-16-7-9-17(37)10-8-16/h7-10,14-15,18-19,22-23,37H,11-13,30H2,1-6H3,(H2,31,38)(H,32,43)(H,33,45)(H,34,42)(H,35,44)(H,36,41)(H,39,40)/t18-,19-,22-,23-/m0/s1
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2.63E+3n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50059371
PNG
((S)-3-(2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H50N8O10/c1-15(2)24(29(48)35-14-22(34)42)39-30(49)25(16(3)4)38-28(47)21(13-23(43)44)37-31(50)32(6,7)40-26(45)17(5)36-27(46)20(33)12-18-8-10-19(41)11-9-18/h8-11,15-17,20-21,24-25,41H,12-14,33H2,1-7H3,(H2,34,42)(H,35,48)(H,36,46)(H,37,50)(H,38,47)(H,39,49)(H,40,45)(H,43,44)/t17-,20+,21+,24+,25+/m1/s1
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4.54E+3n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50059373
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C31H48N8O10/c1-14(2)24(30(48)34-13-22(33)41)39-31(49)25(15(3)4)38-29(47)21(12-23(42)43)37-27(45)17(6)35-26(44)16(5)36-28(46)20(32)11-18-7-9-19(40)10-8-18/h7-10,14-17,20-21,24-25,40H,11-13,32H2,1-6H3,(H2,33,41)(H,34,48)(H,35,44)(H,36,46)(H,37,45)(H,38,47)(H,39,49)(H,42,43)/t16-,17+,20+,21+,24+,25+/m1/s1
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5.40E+3n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50059372
PNG
((S)-3-((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C31H48N8O10/c1-14(2)24(30(48)34-13-22(33)41)39-31(49)25(15(3)4)38-29(47)21(12-23(42)43)37-27(45)17(6)35-26(44)16(5)36-28(46)20(32)11-18-7-9-19(40)10-8-18/h7-10,14-17,20-21,24-25,40H,11-13,32H2,1-6H3,(H2,33,41)(H,34,48)(H,35,44)(H,36,46)(H,37,45)(H,38,47)(H,39,49)(H,42,43)/t16-,17-,20+,21+,24+,25+/m1/s1
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1.36E+4n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50059369
PNG
((R)-3-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C33H52N8O10/c1-16(2)24(28(48)36-15-22(35)43)39-29(49)25(17(3)4)38-27(47)21(14-23(44)45)37-30(50)32(5,6)41-31(51)33(7,8)40-26(46)20(34)13-18-9-11-19(42)12-10-18/h9-12,16-17,20-21,24-25,42H,13-15,34H2,1-8H3,(H2,35,43)(H,36,48)(H,37,50)(H,38,47)(H,39,49)(H,40,46)(H,41,51)(H,44,45)/t20-,21+,24-,25-/m0/s1
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1.52E+4n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50454611
PNG
(CHEMBL2370048)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C29H45N7O9/c1-14(2)22(26(43)32-13-20(31)38)35-27(44)23(15(3)4)34-25(42)19(12-21(39)40)33-28(45)29(5,6)36-24(41)18(30)11-16-7-9-17(37)10-8-16/h7-10,14-15,18-19,22-23,37H,11-13,30H2,1-6H3,(H2,31,38)(H,32,43)(H,33,45)(H,34,42)(H,35,44)(H,36,41)(H,39,40)/t18-,19-,22-,23-/m0/s1
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4.41E+5n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50059367
PNG
((S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H54N8O8/c1-20(2)29(34(51)40-19-28(39)47)43-35(52)30(21(3)4)44-36(53)37(6,7)45-33(50)27(18-23-11-9-8-10-12-23)42-31(48)22(5)41-32(49)26(38)17-24-13-15-25(46)16-14-24/h8-16,20-22,26-27,29-30,46H,17-19,38H2,1-7H3,(H2,39,47)(H,40,51)(H,41,49)(H,42,48)(H,43,52)(H,44,53)(H,45,50)/t22-,26+,27+,29+,30+/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for Opioid receptor delta 1 was determined in vitro, on mouse vas deferens (MVD).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for Opioid receptor delta 1 was determined in vitro, on mouse vas deferens (MVD).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50059370
PNG
((S)-3-((S)-2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-20(2)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(18-29(49)50)42-33(52)26(17-22-10-8-7-9-11-22)43-37(56)38(5,6)46-32(51)25(39)16-23-12-14-24(47)15-13-23/h7-15,20-21,25-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t25-,26-,27-,30-,31-/m0/s1
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n/an/a 1.44n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for Opioid receptor delta 1 was determined in vitro, on mouse vas deferens (MVD).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50059367
PNG
((S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H54N8O8/c1-20(2)29(34(51)40-19-28(39)47)43-35(52)30(21(3)4)44-36(53)37(6,7)45-33(50)27(18-23-11-9-8-10-12-23)42-31(48)22(5)41-32(49)26(38)17-24-13-15-25(46)16-14-24/h8-16,20-22,26-27,29-30,46H,17-19,38H2,1-7H3,(H2,39,47)(H,40,51)(H,41,49)(H,42,48)(H,43,52)(H,44,53)(H,45,50)/t22-,26+,27+,29+,30+/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for mu opioid receptor was determined in vitro , on guinea pig ileum (GPI).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50059371
PNG
((S)-3-(2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H50N8O10/c1-15(2)24(29(48)35-14-22(34)42)39-30(49)25(16(3)4)38-28(47)21(13-23(43)44)37-31(50)32(6,7)40-26(45)17(5)36-27(46)20(33)12-18-8-10-19(41)11-9-18/h8-11,15-17,20-21,24-25,41H,12-14,33H2,1-7H3,(H2,34,42)(H,35,48)(H,36,46)(H,37,50)(H,38,47)(H,39,49)(H,40,45)(H,43,44)/t17-,20+,21+,24+,25+/m1/s1
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n/an/a>10n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for mu opioid receptor was determined in vitro , on guinea pig ileum (GPI).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50059369
PNG
((R)-3-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C33H52N8O10/c1-16(2)24(28(48)36-15-22(35)43)39-29(49)25(17(3)4)38-27(47)21(14-23(44)45)37-30(50)32(5,6)41-31(51)33(7,8)40-26(46)20(34)13-18-9-11-19(42)12-10-18/h9-12,16-17,20-21,24-25,42H,13-15,34H2,1-8H3,(H2,35,43)(H,36,48)(H,37,50)(H,38,47)(H,39,49)(H,40,46)(H,41,51)(H,44,45)/t20-,21+,24-,25-/m0/s1
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n/an/a>10n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for mu opioid receptor was determined in vitro , on guinea pig ileum (GPI).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50059370
PNG
((S)-3-((S)-2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-20(2)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(18-29(49)50)42-33(52)26(17-22-10-8-7-9-11-22)43-37(56)38(5,6)46-32(51)25(39)16-23-12-14-24(47)15-13-23/h7-15,20-21,25-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t25-,26-,27-,30-,31-/m0/s1
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n/an/a>10n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for mu opioid receptor was determined in vitro , on guinea pig ileum (GPI).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50059371
PNG
((S)-3-(2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H50N8O10/c1-15(2)24(29(48)35-14-22(34)42)39-30(49)25(16(3)4)38-28(47)21(13-23(43)44)37-31(50)32(6,7)40-26(45)17(5)36-27(46)20(33)12-18-8-10-19(41)11-9-18/h8-11,15-17,20-21,24-25,41H,12-14,33H2,1-7H3,(H2,34,42)(H,35,48)(H,36,46)(H,37,50)(H,38,47)(H,39,49)(H,40,45)(H,43,44)/t17-,20+,21+,24+,25+/m1/s1
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n/an/a 57.3n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for Opioid receptor delta 1 was determined in vitro, on mouse vas deferens (MVD).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50059369
PNG
((R)-3-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C33H52N8O10/c1-16(2)24(28(48)36-15-22(35)43)39-29(49)25(17(3)4)38-27(47)21(14-23(44)45)37-30(50)32(5,6)41-31(51)33(7,8)40-26(46)20(34)13-18-9-11-19(42)12-10-18/h9-12,16-17,20-21,24-25,42H,13-15,34H2,1-8H3,(H2,35,43)(H,36,48)(H,37,50)(H,38,47)(H,39,49)(H,40,46)(H,41,51)(H,44,45)/t20-,21+,24-,25-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for Opioid receptor delta 1 was determined in vitro, on mouse vas deferens (MVD).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for mu opioid receptor was determined in vitro , on guinea pig ileum (GPI).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair