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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50030707   
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


(Homo sapiens (Human))
BDBM50300357
PNG
((S)-2-((S)-1-((2S,8S,11R)-11-((S)-2-amino-3-(4-hyd...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(C(=O)CBr)C(=O)CBr)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C46H56Br2N8O13/c47-23-39(61)56(40(62)24-48)19-4-8-33(52-41(63)32(49)20-28-10-14-30(58)15-11-28)43(65)53-34(21-27-6-2-1-3-7-27)42(64)50-25-38(60)51-35(22-29-12-16-31(59)17-13-29)45(67)55-18-5-9-37(55)44(66)54-36(26-57)46(68)69/h1-3,6-7,10-17,32-37,57-59H,4-5,8-9,18-26,49H2,(H,50,64)(H,51,60)(H,52,63)(H,53,65)(H,54,66)(H,68,69)/t32-,33+,34-,35-,36-,37-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50300359
PNG
((S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN(N=C=S)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C45H54N10O11S2/c46-33(21-29-11-15-31(57)16-12-29)40(60)51-34(9-4-5-20-55(48-26-67)49-27-68)42(62)52-35(22-28-7-2-1-3-8-28)41(61)47-24-39(59)50-36(23-30-13-17-32(58)18-14-30)44(64)54-19-6-10-38(54)43(63)53-37(25-56)45(65)66/h1-3,7-8,11-18,33-38,56-58H,4-6,9-10,19-25,46H2,(H,47,61)(H,50,59)(H,51,60)(H,52,62)(H,53,63)(H,65,66)/t33-,34+,35-,36-,37-,38-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 0.720n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50300356
PNG
((S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(N=C=S)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C44H52N10O11S2/c45-32(20-28-10-14-30(56)15-11-28)39(59)50-33(8-4-19-54(47-25-66)48-26-67)41(61)51-34(21-27-6-2-1-3-7-27)40(60)46-23-38(58)49-35(22-29-12-16-31(57)17-13-29)43(63)53-18-5-9-37(53)42(62)52-36(24-55)44(64)65/h1-3,6-7,10-17,32-37,55-57H,4-5,8-9,18-24,45H2,(H,46,60)(H,49,58)(H,50,59)(H,51,61)(H,52,62)(H,64,65)/t32-,33+,34-,35-,36-,37-/m0/s1
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n/an/a 0.810n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50300356
PNG
((S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(N=C=S)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C44H52N10O11S2/c45-32(20-28-10-14-30(56)15-11-28)39(59)50-33(8-4-19-54(47-25-66)48-26-67)41(61)51-34(21-27-6-2-1-3-7-27)40(60)46-23-38(58)49-35(22-29-12-16-31(57)17-13-29)43(63)53-18-5-9-37(53)42(62)52-36(24-55)44(64)65/h1-3,6-7,10-17,32-37,55-57H,4-5,8-9,18-24,45H2,(H,46,60)(H,49,58)(H,50,59)(H,51,61)(H,52,62)(H,64,65)/t32-,33+,34-,35-,36-,37-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of beta-[3H]FNA from mu opioid receptor in guinea pig brain membrane


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of beta-[3H]FNA from mu opioid receptor in guinea pig brain membrane


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50300358
PNG
((S)-2-((S)-1-((2S,8S,11R)-15-acetyl-11-((S)-2-amin...)
Show SMILES CC(=O)N(CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O)C(C)=O |r|
Show InChI InChI=1S/C46H58N8O13/c1-27(56)53(28(2)57)20-6-10-35(50-41(61)34(47)22-30-12-16-32(58)17-13-30)43(63)51-36(23-29-8-4-3-5-9-29)42(62)48-25-40(60)49-37(24-31-14-18-33(59)19-15-31)45(65)54-21-7-11-39(54)44(64)52-38(26-55)46(66)67/h3-5,8-9,12-19,34-39,55,58-59H,6-7,10-11,20-26,47H2,1-2H3,(H,48,62)(H,49,60)(H,50,61)(H,51,63)(H,52,64)(H,66,67)/t34-,35+,36-,37-,38-,39-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50300360
PNG
((S)-2-((S)-1-((2S,8S,11R)-11-((S)-2-amino-3-(4-hyd...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN(C(=O)CBr)C(=O)CBr)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C47H58Br2N8O13/c48-24-40(62)57(41(63)25-49)19-5-4-9-34(53-42(64)33(50)21-29-11-15-31(59)16-12-29)44(66)54-35(22-28-7-2-1-3-8-28)43(65)51-26-39(61)52-36(23-30-13-17-32(60)18-14-30)46(68)56-20-6-10-38(56)45(67)55-37(27-58)47(69)70/h1-3,7-8,11-18,33-38,58-60H,4-6,9-10,19-27,50H2,(H,51,65)(H,52,61)(H,53,64)(H,54,66)(H,55,67)(H,69,70)/t33-,34+,35-,36-,37-,38-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50300362
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-N-((S)-1-(2-((S)-1...)
Show SMILES CC(C)C[C@@H](CSSc1ncccc1[N+]([O-])=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C34H43N7O7S2/c1-21(2)16-25(20-49-50-34-29(41(47)48)10-7-15-36-34)39-33(46)28(18-23-8-5-4-6-9-23)40-30(43)19-37-31(44)22(3)38-32(45)27(35)17-24-11-13-26(42)14-12-24/h4-15,21-22,25,27-28,42H,16-20,35H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,40,43)/t22-,25-,27-,28-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled [D-Ala2,MePhe4,Gly-ol5]enkephalin binding to delta opioid receptor in rat brain membrane


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50300356
PNG
((S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(N=C=S)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C44H52N10O11S2/c45-32(20-28-10-14-30(56)15-11-28)39(59)50-33(8-4-19-54(47-25-66)48-26-67)41(61)51-34(21-27-6-2-1-3-7-27)40(60)46-23-38(58)49-35(22-29-12-16-31(57)17-13-29)43(63)53-18-5-9-37(53)42(62)52-36(24-55)44(64)65/h1-3,6-7,10-17,32-37,55-57H,4-5,8-9,18-24,45H2,(H,46,60)(H,49,58)(H,50,59)(H,51,61)(H,52,62)(H,64,65)/t32-,33+,34-,35-,36-,37-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50300361
PNG
((S)-2-((S)-1-((2S,8S,11R)-16-acetyl-11-((S)-2-amin...)
Show SMILES CC(=O)N(CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O)C(C)=O |r|
Show InChI InChI=1S/C47H60N8O13/c1-28(57)54(29(2)58)21-7-6-11-36(51-42(62)35(48)23-31-13-17-33(59)18-14-31)44(64)52-37(24-30-9-4-3-5-10-30)43(63)49-26-41(61)50-38(25-32-15-19-34(60)20-16-32)46(66)55-22-8-12-40(55)45(65)53-39(27-56)47(67)68/h3-5,9-10,13-20,35-40,56,59-60H,6-8,11-12,21-27,48H2,1-2H3,(H,49,63)(H,50,61)(H,51,62)(H,52,64)(H,53,65)(H,67,68)/t35-,36+,37-,38-,39-,40-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50300359
PNG
((S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN(N=C=S)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C45H54N10O11S2/c46-33(21-29-11-15-31(57)16-12-29)40(60)51-34(9-4-5-20-55(48-26-67)49-27-68)42(62)52-35(22-28-7-2-1-3-8-28)41(61)47-24-39(59)50-36(23-30-13-17-32(58)18-14-30)44(64)54-19-6-10-38(54)43(63)53-37(25-56)45(65)66/h1-3,7-8,11-18,33-38,56-58H,4-6,9-10,19-25,46H2,(H,47,61)(H,50,59)(H,51,60)(H,52,62)(H,53,63)(H,65,66)/t33-,34+,35-,36-,37-,38-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 197n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50300358
PNG
((S)-2-((S)-1-((2S,8S,11R)-15-acetyl-11-((S)-2-amin...)
Show SMILES CC(=O)N(CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O)C(C)=O |r|
Show InChI InChI=1S/C46H58N8O13/c1-27(56)53(28(2)57)20-6-10-35(50-41(61)34(47)22-30-12-16-32(58)17-13-30)43(63)51-36(23-29-8-4-3-5-9-29)42(62)48-25-40(60)49-37(24-31-14-18-33(59)19-15-31)45(65)54-21-7-11-39(54)44(64)52-38(26-55)46(66)67/h3-5,8-9,12-19,34-39,55,58-59H,6-7,10-11,20-26,47H2,1-2H3,(H,48,62)(H,49,60)(H,50,61)(H,51,63)(H,52,64)(H,66,67)/t34-,35+,36-,37-,38-,39-/m0/s1
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n/an/a 272n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50300357
PNG
((S)-2-((S)-1-((2S,8S,11R)-11-((S)-2-amino-3-(4-hyd...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(C(=O)CBr)C(=O)CBr)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C46H56Br2N8O13/c47-23-39(61)56(40(62)24-48)19-4-8-33(52-41(63)32(49)20-28-10-14-30(58)15-11-28)43(65)53-34(21-27-6-2-1-3-7-27)42(64)50-25-38(60)51-35(22-29-12-16-31(59)17-13-29)45(67)55-18-5-9-37(55)44(66)54-36(26-57)46(68)69/h1-3,6-7,10-17,32-37,57-59H,4-5,8-9,18-26,49H2,(H,50,64)(H,51,60)(H,52,63)(H,53,65)(H,54,66)(H,68,69)/t32-,33+,34-,35-,36-,37-/m0/s1
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n/an/a 342n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50300360
PNG
((S)-2-((S)-1-((2S,8S,11R)-11-((S)-2-amino-3-(4-hyd...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN(C(=O)CBr)C(=O)CBr)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C47H58Br2N8O13/c48-24-40(62)57(41(63)25-49)19-5-4-9-34(53-42(64)33(50)21-29-11-15-31(59)16-12-29)44(66)54-35(22-28-7-2-1-3-8-28)43(65)51-26-39(61)52-36(23-30-13-17-32(60)18-14-30)46(68)56-20-6-10-38(56)45(67)55-37(27-58)47(69)70/h1-3,7-8,11-18,33-38,58-60H,4-6,9-10,19-27,50H2,(H,51,65)(H,52,61)(H,53,64)(H,54,66)(H,55,67)(H,69,70)/t33-,34+,35-,36-,37-,38-/m0/s1
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n/an/a 382n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50300361
PNG
((S)-2-((S)-1-((2S,8S,11R)-16-acetyl-11-((S)-2-amin...)
Show SMILES CC(=O)N(CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O)C(C)=O |r|
Show InChI InChI=1S/C47H60N8O13/c1-28(57)54(29(2)58)21-7-6-11-36(51-42(62)35(48)23-31-13-17-33(59)18-14-31)44(64)52-37(24-30-9-4-3-5-10-30)43(63)49-26-41(61)50-38(25-32-15-19-34(60)20-16-32)46(66)55-22-8-12-40(55)45(65)53-39(27-56)47(67)68/h3-5,9-10,13-20,35-40,56,59-60H,6-8,11-12,21-27,48H2,1-2H3,(H,49,63)(H,50,61)(H,51,62)(H,52,64)(H,53,65)(H,67,68)/t35-,36+,37-,38-,39-,40-/m0/s1
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n/an/a 436n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50300363
PNG
(CHEMBL583426 | Tyr-D-Ala-Gly-NMePhe)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)c1ccccc1 |r|
Show InChI InChI=1S/C21H26N4O4/c1-14(24-21(29)18(22)12-15-8-10-17(26)11-9-15)20(28)23-13-19(27)25(2)16-6-4-3-5-7-16/h3-11,14,18,26H,12-13,22H2,1-2H3,(H,23,28)(H,24,29)/t14-,18+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]naloxone binding to mu opioid receptor in rat brain membrane


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50300362
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-N-((S)-1-(2-((S)-1...)
Show SMILES CC(C)C[C@@H](CSSc1ncccc1[N+]([O-])=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C34H43N7O7S2/c1-21(2)16-25(20-49-50-34-29(41(47)48)10-7-15-36-34)39-33(46)28(18-23-8-5-4-6-9-23)40-30(43)19-37-31(44)22(3)38-32(45)27(35)17-24-11-13-26(42)14-12-24/h4-15,21-22,25,27-28,42H,16-20,35H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,40,43)/t22-,25-,27-,28-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]naloxone binding to mu opioid receptor in rat brain membrane


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
More data for this
Ligand-Target Pair