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Compile Data Set for Download or QSAR

Found 226 hits with Last Name = 'lefever' and Initial = 'm'   
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))
BDBM50108973
PNG
(CHEMBL3597078)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C82H133N21O25/c1-41(2)29-52(68(88)114)96-77(123)57(40-127-80-67(113)66(112)65(111)59(39-104)128-80)100-72(118)50(21-15-17-27-83)95-75(121)53(30-42(3)4)97-70(116)45(8)93-74(120)56(35-61(87)107)99-73(119)51(22-16-18-28-84)101-81(126)82(9,10)102-78(124)54(31-43(5)6)98-76(122)55(34-60(86)106)94-63(109)37-89-62(108)36-90-79(125)58(33-46-19-13-12-14-20-46)103(11)64(110)38-91-69(115)44(7)92-71(117)49(85)32-47-23-25-48(105)26-24-47/h12-14,19-20,23-26,41-45,49-59,65-67,80,104-105,111-113H,15-18,21-22,27-40,83-85H2,1-11H3,(H2,86,106)(H2,87,107)(H2,88,114)(H,89,108)(H,90,125)(H,91,115)(H,92,117)(H,93,120)(H,94,109)(H,95,121)(H,96,123)(H,97,116)(H,98,122)(H,99,119)(H,100,118)(H,101,126)(H,102,124)/t44-,45+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59-,65-,66+,67-,80-/s2
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0.240n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50108977
PNG
(CHEMBL3597154)
Show SMILES CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(N)=O |r|
Show InChI InChI=1/C28H37N5O5S2/c1-28(2)23(24(30)35)33-26(37)21(15-17-6-4-3-5-7-17)31-27(38)22(16-39-12-13-40-28)32-25(36)20(29)14-18-8-10-19(34)11-9-18/h3-11,20-23,34H,12-16,29H2,1-2H3,(H2,30,35)(H,31,38)(H,32,36)(H,33,37)/t20-,21-,22+,23-/s2
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0.290n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in African green monkey COS1 cell membranes after 1.5 hrs by scintillation counting ...


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.560n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108960
PNG
(CHEMBL3597153)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C90H148N20O27/c1-46(2)36-59(75(95)122)103-85(132)65(45-136-88-74(121)73(120)72(119)66(44-111)137-88)107-80(127)57(25-17-20-34-92)102-82(129)61(38-48(5)6)104-76(123)50(9)98-79(126)56(24-16-19-33-91)101-81(128)58(31-32-70(117)118)108-89(135)90(11,12)110-86(133)62(39-49(7)8)106-84(131)64(42-67(94)114)99-68(115)26-18-21-35-96-78(125)60(37-47(3)4)105-83(130)63(41-52-22-14-13-15-23-52)100-69(116)43-97-87(134)71(51(10)112)109-77(124)55(93)40-53-27-29-54(113)30-28-53/h13-15,22-23,27-30,46-51,55-66,71-74,88,111-113,119-121H,16-21,24-26,31-45,91-93H2,1-12H3,(H2,94,114)(H2,95,122)(H,96,125)(H,97,134)(H,98,126)(H,99,115)(H,100,116)(H,101,128)(H,102,129)(H,103,132)(H,104,123)(H,105,130)(H,106,131)(H,107,127)(H,108,135)(H,109,124)(H,110,133)(H,117,118)/t50-,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,71-,72+,73-,74+,88+/s2
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1.40n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108968
PNG
(CHEMBL3597084)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C90H146N20O27/c1-45(2)35-58(74(95)121)101-83(130)64(44-136-88-73(120)72(119)71(118)66(43-111)137-88)106-78(125)56(24-17-19-33-92)100-80(127)59(36-46(3)4)102-75(122)49(9)97-77(124)55(23-16-18-32-91)99-79(126)57(30-31-69(116)117)107-89(135)90(11,12)109-84(131)60(37-47(5)6)103-82(129)62(41-67(94)114)104-85(132)65-25-20-34-110(65)87(134)63(38-48(7)8)105-81(128)61(40-51-21-14-13-15-22-51)98-68(115)42-96-86(133)70(50(10)112)108-76(123)54(93)39-52-26-28-53(113)29-27-52/h13-15,21-22,26-29,45-50,54-66,70-73,88,111-113,118-120H,16-20,23-25,30-44,91-93H2,1-12H3,(H2,94,114)(H2,95,121)(H,96,133)(H,97,124)(H,98,115)(H,99,126)(H,100,127)(H,101,130)(H,102,122)(H,103,129)(H,104,132)(H,105,128)(H,106,125)(H,107,135)(H,108,123)(H,109,131)(H,116,117)/t49-,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,70-,71+,72-,73+,88+/s2
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2.30n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108968
PNG
(CHEMBL3597084)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C90H146N20O27/c1-45(2)35-58(74(95)121)101-83(130)64(44-136-88-73(120)72(119)71(118)66(43-111)137-88)106-78(125)56(24-17-19-33-92)100-80(127)59(36-46(3)4)102-75(122)49(9)97-77(124)55(23-16-18-32-91)99-79(126)57(30-31-69(116)117)107-89(135)90(11,12)109-84(131)60(37-47(5)6)103-82(129)62(41-67(94)114)104-85(132)65-25-20-34-110(65)87(134)63(38-48(7)8)105-81(128)61(40-51-21-14-13-15-22-51)98-68(115)42-96-86(133)70(50(10)112)108-76(123)54(93)39-52-26-28-53(113)29-27-52/h13-15,21-22,26-29,45-50,54-66,70-73,88,111-113,118-120H,16-20,23-25,30-44,91-93H2,1-12H3,(H2,94,114)(H2,95,121)(H,96,133)(H,97,124)(H,98,115)(H,99,126)(H,100,127)(H,101,130)(H,102,122)(H,103,129)(H,104,132)(H,105,128)(H,106,125)(H,107,135)(H,108,123)(H,109,131)(H,116,117)/t49-,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,70-,71+,72-,73+,88+/s2
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2.60n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108975
PNG
(CHEMBL3597076)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C83H134N20O26/c1-42(2)31-54(69(88)115)97-78(124)58(41-128-81-68(114)67(113)66(112)60(40-104)129-81)100-74(120)52(22-16-18-30-85)96-76(122)55(32-43(3)4)98-71(117)46(8)93-73(119)51(21-15-17-29-84)95-75(121)53(27-28-65(110)111)101-82(127)83(9,10)102-79(125)56(33-44(5)6)99-77(123)57(36-61(87)106)94-63(108)38-89-62(107)37-90-80(126)59(35-47-19-13-12-14-20-47)103(11)64(109)39-91-70(116)45(7)92-72(118)50(86)34-48-23-25-49(105)26-24-48/h12-14,19-20,23-26,42-46,50-60,66-68,81,104-105,112-114H,15-18,21-22,27-41,84-86H2,1-11H3,(H2,87,106)(H2,88,115)(H,89,107)(H,90,126)(H,91,116)(H,92,118)(H,93,119)(H,94,108)(H,95,121)(H,96,122)(H,97,124)(H,98,117)(H,99,123)(H,100,120)(H,101,127)(H,102,125)(H,110,111)/t45-,46+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,66-,67+,68-,81-/s2
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2.80n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108957
PNG
(CHEMBL3597073)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C86H138N20O26/c1-44(2)34-56(71(91)117)98-80(126)60(43-131-84-70(116)69(115)68(114)63(42-107)132-84)102-76(122)54(23-16-18-32-88)97-78(124)57(35-45(3)4)99-73(119)48(8)95-75(121)53(22-15-17-31-87)96-77(123)55(29-30-67(112)113)103-85(130)86(9,10)104-81(127)58(36-46(5)6)100-79(125)59(39-64(90)109)101-83(129)61-24-19-33-106(61)66(111)41-93-82(128)62(38-49-20-13-12-14-21-49)105(11)65(110)40-92-72(118)47(7)94-74(120)52(89)37-50-25-27-51(108)28-26-50/h12-14,20-21,25-28,44-48,52-63,68-70,84,107-108,114-116H,15-19,22-24,29-43,87-89H2,1-11H3,(H2,90,109)(H2,91,117)(H,92,118)(H,93,128)(H,94,120)(H,95,121)(H,96,123)(H,97,124)(H,98,126)(H,99,119)(H,100,125)(H,101,129)(H,102,122)(H,103,130)(H,104,127)(H,112,113)/t47-,48+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,68-,69+,70-,84-/s2
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3.20n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108968
PNG
(CHEMBL3597084)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C90H146N20O27/c1-45(2)35-58(74(95)121)101-83(130)64(44-136-88-73(120)72(119)71(118)66(43-111)137-88)106-78(125)56(24-17-19-33-92)100-80(127)59(36-46(3)4)102-75(122)49(9)97-77(124)55(23-16-18-32-91)99-79(126)57(30-31-69(116)117)107-89(135)90(11,12)109-84(131)60(37-47(5)6)103-82(129)62(41-67(94)114)104-85(132)65-25-20-34-110(65)87(134)63(38-48(7)8)105-81(128)61(40-51-21-14-13-15-22-51)98-68(115)42-96-86(133)70(50(10)112)108-76(123)54(93)39-52-26-28-53(113)29-27-52/h13-15,21-22,26-29,45-50,54-66,70-73,88,111-113,118-120H,16-20,23-25,30-44,91-93H2,1-12H3,(H2,94,114)(H2,95,121)(H,96,133)(H,97,124)(H,98,115)(H,99,126)(H,100,127)(H,101,130)(H,102,122)(H,103,129)(H,104,132)(H,105,128)(H,106,125)(H,107,135)(H,108,123)(H,109,131)(H,116,117)/t49-,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,70-,71+,72-,73+,88+/s2
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3.60n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108964
PNG
(CHEMBL3597088)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C43H65N9O11/c1-24(2)18-31(38(45)58)50-42(62)34(23-53)49-35(56)12-9-17-46-40(60)32(19-25(3)4)51-41(61)33(21-27-10-7-6-8-11-27)48-36(57)22-47-43(63)37(26(5)54)52-39(59)30(44)20-28-13-15-29(55)16-14-28/h6-8,10-11,13-16,24-26,30-34,37,53-55H,9,12,17-23,44H2,1-5H3,(H2,45,58)(H,46,60)(H,47,63)(H,48,57)(H,49,56)(H,50,62)(H,51,61)(H,52,59)/t26-,30+,31+,32+,33+,34+,37+/s2
PDB

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3.80n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108960
PNG
(CHEMBL3597153)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C90H148N20O27/c1-46(2)36-59(75(95)122)103-85(132)65(45-136-88-74(121)73(120)72(119)66(44-111)137-88)107-80(127)57(25-17-20-34-92)102-82(129)61(38-48(5)6)104-76(123)50(9)98-79(126)56(24-16-19-33-91)101-81(128)58(31-32-70(117)118)108-89(135)90(11,12)110-86(133)62(39-49(7)8)106-84(131)64(42-67(94)114)99-68(115)26-18-21-35-96-78(125)60(37-47(3)4)105-83(130)63(41-52-22-14-13-15-23-52)100-69(116)43-97-87(134)71(51(10)112)109-77(124)55(93)40-53-27-29-54(113)30-28-53/h13-15,22-23,27-30,46-51,55-66,71-74,88,111-113,119-121H,16-21,24-26,31-45,91-93H2,1-12H3,(H2,94,114)(H2,95,122)(H,96,125)(H,97,134)(H,98,126)(H,99,115)(H,100,116)(H,101,128)(H,102,129)(H,103,132)(H,104,123)(H,105,130)(H,106,131)(H,107,127)(H,108,135)(H,109,124)(H,110,133)(H,117,118)/t50-,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,71-,72+,73-,74+,88+/s2
PDB

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3.80n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108962
PNG
(CHEMBL3597151)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C89H146N20O27/c1-45(2)35-58(74(94)121)102-84(131)64(44-135-87-73(120)72(119)71(118)65(43-110)136-87)106-79(126)56(24-17-19-33-91)101-81(128)60(37-47(5)6)103-75(122)49(9)97-78(125)55(23-16-18-32-90)100-80(127)57(30-31-69(116)117)107-88(134)89(11,12)109-85(132)61(38-48(7)8)105-83(130)63(41-66(93)113)98-67(114)25-20-34-95-77(124)59(36-46(3)4)104-82(129)62(40-51-21-14-13-15-22-51)99-68(115)42-96-86(133)70(50(10)111)108-76(123)54(92)39-52-26-28-53(112)29-27-52/h13-15,21-22,26-29,45-50,54-65,70-73,87,110-112,118-120H,16-20,23-25,30-44,90-92H2,1-12H3,(H2,93,113)(H2,94,121)(H,95,124)(H,96,133)(H,97,125)(H,98,114)(H,99,115)(H,100,127)(H,101,128)(H,102,131)(H,103,122)(H,104,129)(H,105,130)(H,106,126)(H,107,134)(H,108,123)(H,109,132)(H,116,117)/t49-,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,70-,71+,72-,73+,87+/s2
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4.20n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108962
PNG
(CHEMBL3597151)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C89H146N20O27/c1-45(2)35-58(74(94)121)102-84(131)64(44-135-87-73(120)72(119)71(118)65(43-110)136-87)106-79(126)56(24-17-19-33-91)101-81(128)60(37-47(5)6)103-75(122)49(9)97-78(125)55(23-16-18-32-90)100-80(127)57(30-31-69(116)117)107-88(134)89(11,12)109-85(132)61(38-48(7)8)105-83(130)63(41-66(93)113)98-67(114)25-20-34-95-77(124)59(36-46(3)4)104-82(129)62(40-51-21-14-13-15-22-51)99-68(115)42-96-86(133)70(50(10)111)108-76(123)54(92)39-52-26-28-53(112)29-27-52/h13-15,21-22,26-29,45-50,54-65,70-73,87,110-112,118-120H,16-20,23-25,30-44,90-92H2,1-12H3,(H2,93,113)(H2,94,121)(H,95,124)(H,96,133)(H,97,125)(H,98,114)(H,99,115)(H,100,127)(H,101,128)(H,102,131)(H,103,122)(H,104,129)(H,105,130)(H,106,126)(H,107,134)(H,108,123)(H,109,132)(H,116,117)/t49-,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,70-,71+,72-,73+,87+/s2
PDB

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4.30n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108959
PNG
(CHEMBL3597071)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C82H133N19O25/c1-42(2)33-54(68(87)112)95-77(121)58(41-125-80-67(111)66(110)65(109)60(40-102)126-80)98-73(117)52(22-16-18-31-84)94-75(119)55(34-43(3)4)96-70(114)46(8)91-72(116)51(21-15-17-30-83)93-74(118)53(27-28-64(107)108)99-81(124)82(9,10)100-78(122)56(35-44(5)6)97-76(120)57(38-61(86)104)92-62(105)29-32-88-79(123)59(37-47-19-13-12-14-20-47)101(11)63(106)39-89-69(113)45(7)90-71(115)50(85)36-48-23-25-49(103)26-24-48/h12-14,19-20,23-26,42-46,50-60,65-67,80,102-103,109-111H,15-18,21-22,27-41,83-85H2,1-11H3,(H2,86,104)(H2,87,112)(H,88,123)(H,89,113)(H,90,115)(H,91,116)(H,92,105)(H,93,118)(H,94,119)(H,95,121)(H,96,114)(H,97,120)(H,98,117)(H,99,124)(H,100,122)(H,107,108)/t45-,46+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,65-,66+,67-,80-/s2
PDB

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4.80n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108969
PNG
(CHEMBL3597083)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1/C45H67N7O19/c1-20(2)13-26(41(65)51-28(39(47)63)19-68-44-37(62)35(60)38(30(18-54)70-44)71-45-36(61)34(59)33(58)29(17-53)69-45)50-42(66)27(15-22-7-5-4-6-8-22)49-31(57)16-48-43(67)32(21(3)55)52-40(64)25(46)14-23-9-11-24(56)12-10-23/h4-12,20-21,25-30,32-38,44-45,53-56,58-62H,13-19,46H2,1-3H3,(H2,47,63)(H,48,67)(H,49,57)(H,50,66)(H,51,65)(H,52,64)/t21-,25+,26+,27+,28+,29-,30-,32+,33-,34+,35-,36-,37-,38-,44-,45+/s2
PDB

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5n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108970
PNG
(CHEMBL3597082)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C78H121N21O27/c1-35(2)21-44(64(84)112)91-73(121)51(34-125-76-63(111)62(110)61(109)53(33-100)126-76)96-71(119)49(28-56(82)104)95-69(117)45(22-36(3)4)92-66(114)39(8)89-68(116)48(27-55(81)103)94-72(120)50(29-57(83)105)97-77(124)78(9,10)98-74(122)46(23-37(5)6)93-70(118)47(26-54(80)102)90-59(107)31-85-58(106)30-86-75(123)52(25-40-15-13-12-14-16-40)99(11)60(108)32-87-65(113)38(7)88-67(115)43(79)24-41-17-19-42(101)20-18-41/h12-20,35-39,43-53,61-63,76,100-101,109-111H,21-34,79H2,1-11H3,(H2,80,102)(H2,81,103)(H2,82,104)(H2,83,105)(H2,84,112)(H,85,106)(H,86,123)(H,87,113)(H,88,115)(H,89,116)(H,90,107)(H,91,121)(H,92,114)(H,93,118)(H,94,120)(H,95,117)(H,96,119)(H,97,124)(H,98,122)/t38-,39+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,61-,62+,63-,76-/s2
PDB

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5.20n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108956
PNG
(CHEMBL3597074)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C87H140N20O26/c1-45(2)36-57(72(92)118)99-81(127)61(44-132-85-71(117)70(116)69(115)64(43-108)133-85)103-77(123)55(23-16-18-33-89)98-79(125)58(37-46(3)4)100-74(120)49(8)96-76(122)54(22-15-17-32-88)97-78(124)56(29-30-68(113)114)104-86(131)87(9,10)105-82(128)59(38-47(5)6)101-80(126)60(41-65(91)110)102-84(130)62-24-19-35-107(62)66(111)31-34-93-83(129)63(40-50-20-13-12-14-21-50)106(11)67(112)42-94-73(119)48(7)95-75(121)53(90)39-51-25-27-52(109)28-26-51/h12-14,20-21,25-28,45-49,53-64,69-71,85,108-109,115-117H,15-19,22-24,29-44,88-90H2,1-11H3,(H2,91,110)(H2,92,118)(H,93,129)(H,94,119)(H,95,121)(H,96,122)(H,97,124)(H,98,125)(H,99,127)(H,100,120)(H,101,126)(H,102,130)(H,103,123)(H,104,131)(H,105,128)(H,113,114)/t48-,49+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64-,69-,70+,71-,85-/s2
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5.60n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108963
PNG
(CHEMBL3597150)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C49H75N9O16/c1-25(2)18-32(43(51)67)56-47(71)35(24-73-49-42(66)41(65)40(64)36(23-59)74-49)55-37(62)12-9-17-52-45(69)33(19-26(3)4)57-46(70)34(21-28-10-7-6-8-11-28)54-38(63)22-53-48(72)39(27(5)60)58-44(68)31(50)20-29-13-15-30(61)16-14-29/h6-8,10-11,13-16,25-27,31-36,39-42,49,59-61,64-66H,9,12,17-24,50H2,1-5H3,(H2,51,67)(H,52,69)(H,53,72)(H,54,63)(H,55,62)(H,56,71)(H,57,70)(H,58,68)/t27-,31+,32+,33+,34+,35+,36-,39+,40-,41+,42-,49-/s2
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6.60n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108964
PNG
(CHEMBL3597088)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C43H65N9O11/c1-24(2)18-31(38(45)58)50-42(62)34(23-53)49-35(56)12-9-17-46-40(60)32(19-25(3)4)51-41(61)33(21-27-10-7-6-8-11-27)48-36(57)22-47-43(63)37(26(5)54)52-39(59)30(44)20-28-13-15-29(55)16-14-28/h6-8,10-11,13-16,24-26,30-34,37,53-55H,9,12,17-23,44H2,1-5H3,(H2,45,58)(H,46,60)(H,47,63)(H,48,57)(H,49,56)(H,50,62)(H,51,61)(H,52,59)/t26-,30+,31+,32+,33+,34+,37+/s2
PDB

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6.60n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108958
PNG
(CHEMBL3597072)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C84H135N19O25/c1-43(2)34-55(69(89)113)95-78(122)59(42-127-82-68(112)67(111)66(110)62(41-104)128-82)99-74(118)53(23-16-18-32-86)94-76(120)56(35-44(3)4)96-71(115)47(8)92-73(117)52(22-15-17-31-85)93-75(119)54(29-30-65(108)109)100-83(126)84(9,10)101-79(123)57(36-45(5)6)97-77(121)58(39-63(88)106)98-80(124)60-24-19-33-103(60)81(125)61(38-48-20-13-12-14-21-48)102(11)64(107)40-90-70(114)46(7)91-72(116)51(87)37-49-25-27-50(105)28-26-49/h12-14,20-21,25-28,43-47,51-62,66-68,82,104-105,110-112H,15-19,22-24,29-42,85-87H2,1-11H3,(H2,88,106)(H2,89,113)(H,90,114)(H,91,116)(H,92,117)(H,93,119)(H,94,120)(H,95,122)(H,96,115)(H,97,121)(H,98,124)(H,99,118)(H,100,126)(H,101,123)(H,108,109)/t46-,47+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62-,66-,67+,68-,82-/s2
PDB

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8.80n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108969
PNG
(CHEMBL3597083)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1/C45H67N7O19/c1-20(2)13-26(41(65)51-28(39(47)63)19-68-44-37(62)35(60)38(30(18-54)70-44)71-45-36(61)34(59)33(58)29(17-53)69-45)50-42(66)27(15-22-7-5-4-6-8-22)49-31(57)16-48-43(67)32(21(3)55)52-40(64)25(46)14-23-9-11-24(56)12-10-23/h4-12,20-21,25-30,32-38,44-45,53-56,58-62H,13-19,46H2,1-3H3,(H2,47,63)(H,48,67)(H,49,57)(H,50,66)(H,51,65)(H,52,64)/t21-,25+,26+,27+,28+,29-,30-,32+,33-,34+,35-,36-,37-,38-,44-,45+/s2
PDB

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9.20n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108966
PNG
(CHEMBL3597086)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C88H144N20O27/c1-43(2)33-57(72(93)119)100-83(130)63(42-134-86-71(118)70(117)69(116)64(41-109)135-86)105-77(124)55(24-18-20-32-90)99-80(127)59(35-45(5)6)101-73(120)47(9)95-76(123)54(23-17-19-31-89)98-78(125)56(29-30-67(114)115)106-87(133)88(12,13)108-84(131)60(36-46(7)8)104-82(129)62(39-65(92)112)102-74(121)48(10)96-79(126)58(34-44(3)4)103-81(128)61(38-50-21-15-14-16-22-50)97-66(113)40-94-85(132)68(49(11)110)107-75(122)53(91)37-51-25-27-52(111)28-26-51/h14-16,21-22,25-28,43-49,53-64,68-71,86,109-111,116-118H,17-20,23-24,29-42,89-91H2,1-13H3,(H2,92,112)(H2,93,119)(H,94,132)(H,95,123)(H,96,126)(H,97,113)(H,98,125)(H,99,127)(H,100,130)(H,101,120)(H,102,121)(H,103,128)(H,104,129)(H,105,124)(H,106,133)(H,107,122)(H,108,131)(H,114,115)/t47-,48-,49+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,68-,69+,70-,71+,86+/s2
PDB

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9.70n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108973
PNG
(CHEMBL3597078)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C82H133N21O25/c1-41(2)29-52(68(88)114)96-77(123)57(40-127-80-67(113)66(112)65(111)59(39-104)128-80)100-72(118)50(21-15-17-27-83)95-75(121)53(30-42(3)4)97-70(116)45(8)93-74(120)56(35-61(87)107)99-73(119)51(22-16-18-28-84)101-81(126)82(9,10)102-78(124)54(31-43(5)6)98-76(122)55(34-60(86)106)94-63(109)37-89-62(108)36-90-79(125)58(33-46-19-13-12-14-20-46)103(11)64(110)38-91-69(115)44(7)92-71(117)49(85)32-47-23-25-48(105)26-24-47/h12-14,19-20,23-26,41-45,49-59,65-67,80,104-105,111-113H,15-18,21-22,27-40,83-85H2,1-11H3,(H2,86,106)(H2,87,107)(H2,88,114)(H,89,108)(H,90,125)(H,91,115)(H,92,117)(H,93,120)(H,94,109)(H,95,121)(H,96,123)(H,97,116)(H,98,122)(H,99,119)(H,100,118)(H,101,126)(H,102,124)/t44-,45+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59-,65-,66+,67-,80-/s2
PDB

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11n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108962
PNG
(CHEMBL3597151)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C89H146N20O27/c1-45(2)35-58(74(94)121)102-84(131)64(44-135-87-73(120)72(119)71(118)65(43-110)136-87)106-79(126)56(24-17-19-33-91)101-81(128)60(37-47(5)6)103-75(122)49(9)97-78(125)55(23-16-18-32-90)100-80(127)57(30-31-69(116)117)107-88(134)89(11,12)109-85(132)61(38-48(7)8)105-83(130)63(41-66(93)113)98-67(114)25-20-34-95-77(124)59(36-46(3)4)104-82(129)62(40-51-21-14-13-15-22-51)99-68(115)42-96-86(133)70(50(10)111)108-76(123)54(92)39-52-26-28-53(112)29-27-52/h13-15,21-22,26-29,45-50,54-65,70-73,87,110-112,118-120H,16-20,23-25,30-44,90-92H2,1-12H3,(H2,93,113)(H2,94,121)(H,95,124)(H,96,133)(H,97,125)(H,98,114)(H,99,115)(H,100,127)(H,101,128)(H,102,131)(H,103,122)(H,104,129)(H,105,130)(H,106,126)(H,107,134)(H,108,123)(H,109,132)(H,116,117)/t49-,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,70-,71+,72-,73+,87+/s2
PDB

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UniProtKB/SwissProt

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11n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108960
PNG
(CHEMBL3597153)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C90H148N20O27/c1-46(2)36-59(75(95)122)103-85(132)65(45-136-88-74(121)73(120)72(119)66(44-111)137-88)107-80(127)57(25-17-20-34-92)102-82(129)61(38-48(5)6)104-76(123)50(9)98-79(126)56(24-16-19-33-91)101-81(128)58(31-32-70(117)118)108-89(135)90(11,12)110-86(133)62(39-49(7)8)106-84(131)64(42-67(94)114)99-68(115)26-18-21-35-96-78(125)60(37-47(3)4)105-83(130)63(41-52-22-14-13-15-23-52)100-69(116)43-97-87(134)71(51(10)112)109-77(124)55(93)40-53-27-29-54(113)30-28-53/h13-15,22-23,27-30,46-51,55-66,71-74,88,111-113,119-121H,16-21,24-26,31-45,91-93H2,1-12H3,(H2,94,114)(H2,95,122)(H,96,125)(H,97,134)(H,98,126)(H,99,115)(H,100,116)(H,101,128)(H,102,129)(H,103,132)(H,104,123)(H,105,130)(H,106,131)(H,107,127)(H,108,135)(H,109,124)(H,110,133)(H,117,118)/t50-,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,71-,72+,73-,74+,88+/s2
PDB

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12n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108961
PNG
(CHEMBL3597152)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C95H156N20O32/c1-46(2)35-59(79(100)130)108-89(140)65(45-144-92-77(129)75(127)78(67(44-117)146-92)147-93-76(128)74(126)73(125)66(43-116)145-93)112-84(135)57(24-17-19-33-97)107-86(137)61(37-48(5)6)109-80(131)50(9)103-83(134)56(23-16-18-32-96)106-85(136)58(30-31-71(123)124)113-94(143)95(11,12)115-90(141)62(38-49(7)8)111-88(139)64(41-68(99)120)104-69(121)25-20-34-101-82(133)60(36-47(3)4)110-87(138)63(40-52-21-14-13-15-22-52)105-70(122)42-102-91(142)72(51(10)118)114-81(132)55(98)39-53-26-28-54(119)29-27-53/h13-15,21-22,26-29,46-51,55-67,72-78,92-93,116-119,125-129H,16-20,23-25,30-45,96-98H2,1-12H3,(H2,99,120)(H2,100,130)(H,101,133)(H,102,142)(H,103,134)(H,104,121)(H,105,122)(H,106,136)(H,107,137)(H,108,140)(H,109,131)(H,110,138)(H,111,139)(H,112,135)(H,113,143)(H,114,132)(H,115,141)(H,123,124)/t50-,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67+,72-,73+,74-,75+,76+,77+,78+,92+,93-/s2
PDB

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13n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108967
PNG
(CHEMBL3597085)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C87H142N20O27/c1-43(2)32-56(72(92)119)100-82(129)62(42-133-85-71(118)70(117)69(116)63(41-108)134-85)104-77(124)54(23-17-19-31-89)99-79(126)58(34-45(5)6)101-73(120)47(9)95-76(123)53(22-16-18-30-88)98-78(125)55(28-29-67(114)115)105-86(132)87(11,12)107-83(130)59(35-46(7)8)103-81(128)61(38-64(91)111)97-65(112)39-93-75(122)57(33-44(3)4)102-80(127)60(37-49-20-14-13-15-21-49)96-66(113)40-94-84(131)68(48(10)109)106-74(121)52(90)36-50-24-26-51(110)27-25-50/h13-15,20-21,24-27,43-48,52-63,68-71,85,108-110,116-118H,16-19,22-23,28-42,88-90H2,1-12H3,(H2,91,111)(H2,92,119)(H,93,122)(H,94,131)(H,95,123)(H,96,113)(H,97,112)(H,98,125)(H,99,126)(H,100,129)(H,101,120)(H,102,127)(H,103,128)(H,104,124)(H,105,132)(H,106,121)(H,107,130)(H,114,115)/t47-,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,68-,69+,70-,71+,85+/s2
PDB

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PubMed
14n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108963
PNG
(CHEMBL3597150)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C49H75N9O16/c1-25(2)18-32(43(51)67)56-47(71)35(24-73-49-42(66)41(65)40(64)36(23-59)74-49)55-37(62)12-9-17-52-45(69)33(19-26(3)4)57-46(70)34(21-28-10-7-6-8-11-28)54-38(63)22-53-48(72)39(27(5)60)58-44(68)31(50)20-29-13-15-30(61)16-14-29/h6-8,10-11,13-16,25-27,31-36,39-42,49,59-61,64-66H,9,12,17-24,50H2,1-5H3,(H2,51,67)(H,52,69)(H,53,72)(H,54,63)(H,55,62)(H,56,71)(H,57,70)(H,58,68)/t27-,31+,32+,33+,34+,35+,36-,39+,40-,41+,42-,49-/s2
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15n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108976
PNG
(CHEMBL3597075)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C89H142N20O26/c1-46(2)37-58(73(94)119)100-82(128)62(45-134-87-72(118)71(117)70(116)66(44-110)135-87)104-78(124)56(24-16-18-34-91)99-80(126)59(38-47(3)4)101-75(121)50(8)97-77(123)55(23-15-17-33-90)98-79(125)57(31-32-69(114)115)105-88(133)89(9,10)106-83(129)60(39-48(5)6)102-81(127)61(42-67(93)112)103-84(130)63-25-19-35-108(63)85(131)64-26-20-36-109(64)86(132)65(41-51-21-13-12-14-22-51)107(11)68(113)43-95-74(120)49(7)96-76(122)54(92)40-52-27-29-53(111)30-28-52/h12-14,21-22,27-30,46-50,54-66,70-72,87,110-111,116-118H,15-20,23-26,31-45,90-92H2,1-11H3,(H2,93,112)(H2,94,119)(H,95,120)(H,96,122)(H,97,123)(H,98,125)(H,99,126)(H,100,128)(H,101,121)(H,102,127)(H,103,130)(H,104,124)(H,105,133)(H,106,129)(H,114,115)/t49-,50+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66-,70-,71+,72-,87-/s2
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15n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108961
PNG
(CHEMBL3597152)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C95H156N20O32/c1-46(2)35-59(79(100)130)108-89(140)65(45-144-92-77(129)75(127)78(67(44-117)146-92)147-93-76(128)74(126)73(125)66(43-116)145-93)112-84(135)57(24-17-19-33-97)107-86(137)61(37-48(5)6)109-80(131)50(9)103-83(134)56(23-16-18-32-96)106-85(136)58(30-31-71(123)124)113-94(143)95(11,12)115-90(141)62(38-49(7)8)111-88(139)64(41-68(99)120)104-69(121)25-20-34-101-82(133)60(36-47(3)4)110-87(138)63(40-52-21-14-13-15-22-52)105-70(122)42-102-91(142)72(51(10)118)114-81(132)55(98)39-53-26-28-54(119)29-27-53/h13-15,21-22,26-29,46-51,55-67,72-78,92-93,116-119,125-129H,16-20,23-25,30-45,96-98H2,1-12H3,(H2,99,120)(H2,100,130)(H,101,133)(H,102,142)(H,103,134)(H,104,121)(H,105,122)(H,106,136)(H,107,137)(H,108,140)(H,109,131)(H,110,138)(H,111,139)(H,112,135)(H,113,143)(H,114,132)(H,115,141)(H,123,124)/t50-,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67+,72-,73+,74-,75+,76+,77+,78+,92+,93-/s2
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17n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108976
PNG
(CHEMBL3597075)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C89H142N20O26/c1-46(2)37-58(73(94)119)100-82(128)62(45-134-87-72(118)71(117)70(116)66(44-110)135-87)104-78(124)56(24-16-18-34-91)99-80(126)59(38-47(3)4)101-75(121)50(8)97-77(123)55(23-15-17-33-90)98-79(125)57(31-32-69(114)115)105-88(133)89(9,10)106-83(129)60(39-48(5)6)102-81(127)61(42-67(93)112)103-84(130)63-25-19-35-108(63)85(131)64-26-20-36-109(64)86(132)65(41-51-21-13-12-14-22-51)107(11)68(113)43-95-74(120)49(7)96-76(122)54(92)40-52-27-29-53(111)30-28-52/h12-14,21-22,27-30,46-50,54-66,70-72,87,110-111,116-118H,15-20,23-26,31-45,90-92H2,1-11H3,(H2,93,112)(H2,94,119)(H,95,120)(H,96,122)(H,97,123)(H,98,125)(H,99,126)(H,100,128)(H,101,121)(H,102,127)(H,103,130)(H,104,124)(H,105,133)(H,106,129)(H,114,115)/t49-,50+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66-,70-,71+,72-,87-/s2
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19n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108974
PNG
(CHEMBL3597077)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C84H139N21O24/c1-44(2)33-56(70(90)115)99-79(124)60(43-128-82-69(114)68(113)67(112)62(42-106)129-82)102-75(120)54(24-16-19-31-86)98-77(122)57(34-45(3)4)100-72(117)48(8)95-74(119)53(23-15-18-30-85)97-76(121)55(25-17-20-32-87)103-83(127)84(9,10)104-80(125)58(35-46(5)6)101-78(123)59(38-63(89)108)96-65(110)40-91-64(109)39-92-81(126)61(37-49-21-13-12-14-22-49)105(11)66(111)41-93-71(116)47(7)94-73(118)52(88)36-50-26-28-51(107)29-27-50/h12-14,21-22,26-29,44-48,52-62,67-69,82,106-107,112-114H,15-20,23-25,30-43,85-88H2,1-11H3,(H2,89,108)(H2,90,115)(H,91,109)(H,92,126)(H,93,116)(H,94,118)(H,95,119)(H,96,110)(H,97,121)(H,98,122)(H,99,124)(H,100,117)(H,101,123)(H,102,120)(H,103,127)(H,104,125)/t47-,48+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62-,67-,68+,69-,82-/s2
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21n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108966
PNG
(CHEMBL3597086)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C88H144N20O27/c1-43(2)33-57(72(93)119)100-83(130)63(42-134-86-71(118)70(117)69(116)64(41-109)135-86)105-77(124)55(24-18-20-32-90)99-80(127)59(35-45(5)6)101-73(120)47(9)95-76(123)54(23-17-19-31-89)98-78(125)56(29-30-67(114)115)106-87(133)88(12,13)108-84(131)60(36-46(7)8)104-82(129)62(39-65(92)112)102-74(121)48(10)96-79(126)58(34-44(3)4)103-81(128)61(38-50-21-15-14-16-22-50)97-66(113)40-94-85(132)68(49(11)110)107-75(122)53(91)37-51-25-27-52(111)28-26-51/h14-16,21-22,25-28,43-49,53-64,68-71,86,109-111,116-118H,17-20,23-24,29-42,89-91H2,1-13H3,(H2,92,112)(H2,93,119)(H,94,132)(H,95,123)(H,96,126)(H,97,113)(H,98,125)(H,99,127)(H,100,130)(H,101,120)(H,102,121)(H,103,128)(H,104,129)(H,105,124)(H,106,133)(H,107,122)(H,108,131)(H,114,115)/t47-,48-,49+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,68-,69+,70-,71+,86+/s2
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21n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108977
PNG
(CHEMBL3597154)
Show SMILES CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(N)=O |r|
Show InChI InChI=1/C28H37N5O5S2/c1-28(2)23(24(30)35)33-26(37)21(15-17-6-4-3-5-7-17)31-27(38)22(16-39-12-13-40-28)32-25(36)20(29)14-18-8-10-19(34)11-9-18/h3-11,20-23,34H,12-16,29H2,1-2H3,(H2,30,35)(H,31,38)(H,32,36)(H,33,37)/t20-,21-,22+,23-/s2
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25n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor (unknown origin)


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108967
PNG
(CHEMBL3597085)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C87H142N20O27/c1-43(2)32-56(72(92)119)100-82(129)62(42-133-85-71(118)70(117)69(116)63(41-108)134-85)104-77(124)54(23-17-19-31-89)99-79(126)58(34-45(5)6)101-73(120)47(9)95-76(123)53(22-16-18-30-88)98-78(125)55(28-29-67(114)115)105-86(132)87(11,12)107-83(130)59(35-46(7)8)103-81(128)61(38-64(91)111)97-65(112)39-93-75(122)57(33-44(3)4)102-80(127)60(37-49-20-14-13-15-21-49)96-66(113)40-94-84(131)68(48(10)109)106-74(121)52(90)36-50-24-26-51(110)27-25-50/h13-15,20-21,24-27,43-48,52-63,68-71,85,108-110,116-118H,16-19,22-23,28-42,88-90H2,1-12H3,(H2,91,111)(H2,92,119)(H,93,122)(H,94,131)(H,95,123)(H,96,113)(H,97,112)(H,98,125)(H,99,126)(H,100,129)(H,101,120)(H,102,127)(H,103,128)(H,104,124)(H,105,132)(H,106,121)(H,107,130)(H,114,115)/t47-,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,68-,69+,70-,71+,85+/s2
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26n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108965
PNG
(CHEMBL3597087)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C90H146N20O27/c1-45(2)35-58(74(95)121)101-83(130)64(44-136-88-73(120)72(119)71(118)66(43-111)137-88)106-78(125)56(24-17-19-33-92)100-80(127)59(36-46(3)4)102-75(122)49(9)97-77(124)55(23-16-18-32-91)99-79(126)57(30-31-69(116)117)107-89(135)90(11,12)109-84(131)60(37-47(5)6)103-82(129)62(41-67(94)114)104-85(132)65-25-20-34-110(65)87(134)63(38-48(7)8)105-81(128)61(40-51-21-14-13-15-22-51)98-68(115)42-96-86(133)70(50(10)112)108-76(123)54(93)39-52-26-28-53(113)29-27-52/h13-15,21-22,26-29,45-50,54-66,70-73,88,111-113,118-120H,16-20,23-25,30-44,91-93H2,1-12H3,(H2,94,114)(H2,95,121)(H,96,133)(H,97,124)(H,98,115)(H,99,126)(H,100,127)(H,101,130)(H,102,122)(H,103,129)(H,104,132)(H,105,128)(H,106,125)(H,107,135)(H,108,123)(H,109,131)(H,116,117)/t49-,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66+,70-,71+,72-,73+,88+/s2
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PubMed
27n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108967
PNG
(CHEMBL3597085)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C87H142N20O27/c1-43(2)32-56(72(92)119)100-82(129)62(42-133-85-71(118)70(117)69(116)63(41-108)134-85)104-77(124)54(23-17-19-31-89)99-79(126)58(34-45(5)6)101-73(120)47(9)95-76(123)53(22-16-18-30-88)98-78(125)55(28-29-67(114)115)105-86(132)87(11,12)107-83(130)59(35-46(7)8)103-81(128)61(38-64(91)111)97-65(112)39-93-75(122)57(33-44(3)4)102-80(127)60(37-49-20-14-13-15-21-49)96-66(113)40-94-84(131)68(48(10)109)106-74(121)52(90)36-50-24-26-51(110)27-25-50/h13-15,20-21,24-27,43-48,52-63,68-71,85,108-110,116-118H,16-19,22-23,28-42,88-90H2,1-12H3,(H2,91,111)(H2,92,119)(H,93,122)(H,94,131)(H,95,123)(H,96,113)(H,97,112)(H,98,125)(H,99,126)(H,100,129)(H,101,120)(H,102,127)(H,103,128)(H,104,124)(H,105,132)(H,106,121)(H,107,130)(H,114,115)/t47-,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,68-,69+,70-,71+,85+/s2
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31n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108964
PNG
(CHEMBL3597088)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C43H65N9O11/c1-24(2)18-31(38(45)58)50-42(62)34(23-53)49-35(56)12-9-17-46-40(60)32(19-25(3)4)51-41(61)33(21-27-10-7-6-8-11-27)48-36(57)22-47-43(63)37(26(5)54)52-39(59)30(44)20-28-13-15-29(55)16-14-28/h6-8,10-11,13-16,24-26,30-34,37,53-55H,9,12,17-23,44H2,1-5H3,(H2,45,58)(H,46,60)(H,47,63)(H,48,57)(H,49,56)(H,50,62)(H,51,61)(H,52,59)/t26-,30+,31+,32+,33+,34+,37+/s2
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39n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108966
PNG
(CHEMBL3597086)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C88H144N20O27/c1-43(2)33-57(72(93)119)100-83(130)63(42-134-86-71(118)70(117)69(116)64(41-109)135-86)105-77(124)55(24-18-20-32-90)99-80(127)59(35-45(5)6)101-73(120)47(9)95-76(123)54(23-17-19-31-89)98-78(125)56(29-30-67(114)115)106-87(133)88(12,13)108-84(131)60(36-46(7)8)104-82(129)62(39-65(92)112)102-74(121)48(10)96-79(126)58(34-44(3)4)103-81(128)61(38-50-21-15-14-16-22-50)97-66(113)40-94-85(132)68(49(11)110)107-75(122)53(91)37-51-25-27-52(111)28-26-51/h14-16,21-22,25-28,43-49,53-64,68-71,86,109-111,116-118H,17-20,23-24,29-42,89-91H2,1-13H3,(H2,92,112)(H2,93,119)(H,94,132)(H,95,123)(H,96,126)(H,97,113)(H,98,125)(H,99,127)(H,100,130)(H,101,120)(H,102,121)(H,103,128)(H,104,129)(H,105,124)(H,106,133)(H,107,122)(H,108,131)(H,114,115)/t47-,48-,49+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,68-,69+,70-,71+,86+/s2
PDB

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39n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108969
PNG
(CHEMBL3597083)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1/C45H67N7O19/c1-20(2)13-26(41(65)51-28(39(47)63)19-68-44-37(62)35(60)38(30(18-54)70-44)71-45-36(61)34(59)33(58)29(17-53)69-45)50-42(66)27(15-22-7-5-4-6-8-22)49-31(57)16-48-43(67)32(21(3)55)52-40(64)25(46)14-23-9-11-24(56)12-10-23/h4-12,20-21,25-30,32-38,44-45,53-56,58-62H,13-19,46H2,1-3H3,(H2,47,63)(H,48,67)(H,49,57)(H,50,66)(H,51,65)(H,52,64)/t21-,25+,26+,27+,28+,29-,30-,32+,33-,34+,35-,36-,37-,38-,44-,45+/s2
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42n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108957
PNG
(CHEMBL3597073)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C86H138N20O26/c1-44(2)34-56(71(91)117)98-80(126)60(43-131-84-70(116)69(115)68(114)63(42-107)132-84)102-76(122)54(23-16-18-32-88)97-78(124)57(35-45(3)4)99-73(119)48(8)95-75(121)53(22-15-17-31-87)96-77(123)55(29-30-67(112)113)103-85(130)86(9,10)104-81(127)58(36-46(5)6)100-79(125)59(39-64(90)109)101-83(129)61-24-19-33-106(61)66(111)41-93-82(128)62(38-49-20-13-12-14-21-49)105(11)65(110)40-92-72(118)47(7)94-74(120)52(89)37-50-25-27-51(108)28-26-50/h12-14,20-21,25-28,44-48,52-63,68-70,84,107-108,114-116H,15-19,22-24,29-43,87-89H2,1-11H3,(H2,90,109)(H2,91,117)(H,92,118)(H,93,128)(H,94,120)(H,95,121)(H,96,123)(H,97,124)(H,98,126)(H,99,119)(H,100,125)(H,101,129)(H,102,122)(H,103,130)(H,104,127)(H,112,113)/t47-,48+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,68-,69+,70-,84-/s2
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45n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108961
PNG
(CHEMBL3597152)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C95H156N20O32/c1-46(2)35-59(79(100)130)108-89(140)65(45-144-92-77(129)75(127)78(67(44-117)146-92)147-93-76(128)74(126)73(125)66(43-116)145-93)112-84(135)57(24-17-19-33-97)107-86(137)61(37-48(5)6)109-80(131)50(9)103-83(134)56(23-16-18-32-96)106-85(136)58(30-31-71(123)124)113-94(143)95(11,12)115-90(141)62(38-49(7)8)111-88(139)64(41-68(99)120)104-69(121)25-20-34-101-82(133)60(36-47(3)4)110-87(138)63(40-52-21-14-13-15-22-52)105-70(122)42-102-91(142)72(51(10)118)114-81(132)55(98)39-53-26-28-54(119)29-27-53/h13-15,21-22,26-29,46-51,55-67,72-78,92-93,116-119,125-129H,16-20,23-25,30-45,96-98H2,1-12H3,(H2,99,120)(H2,100,130)(H,101,133)(H,102,142)(H,103,134)(H,104,121)(H,105,122)(H,106,136)(H,107,137)(H,108,140)(H,109,131)(H,110,138)(H,111,139)(H,112,135)(H,113,143)(H,114,132)(H,115,141)(H,123,124)/t50-,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67+,72-,73+,74-,75+,76+,77+,78+,92+,93-/s2
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52n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108975
PNG
(CHEMBL3597076)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C83H134N20O26/c1-42(2)31-54(69(88)115)97-78(124)58(41-128-81-68(114)67(113)66(112)60(40-104)129-81)100-74(120)52(22-16-18-30-85)96-76(122)55(32-43(3)4)98-71(117)46(8)93-73(119)51(21-15-17-29-84)95-75(121)53(27-28-65(110)111)101-82(127)83(9,10)102-79(125)56(33-44(5)6)99-77(123)57(36-61(87)106)94-63(108)38-89-62(107)37-90-80(126)59(35-47-19-13-12-14-20-47)103(11)64(109)39-91-70(116)45(7)92-72(118)50(86)34-48-23-25-49(105)26-24-48/h12-14,19-20,23-26,42-46,50-60,66-68,81,104-105,112-114H,15-18,21-22,27-41,84-86H2,1-11H3,(H2,87,106)(H2,88,115)(H,89,107)(H,90,126)(H,91,116)(H,92,118)(H,93,119)(H,94,108)(H,95,121)(H,96,122)(H,97,124)(H,98,117)(H,99,123)(H,100,120)(H,101,127)(H,102,125)(H,110,111)/t45-,46+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,66-,67+,68-,81-/s2
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59n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108963
PNG
(CHEMBL3597150)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C49H75N9O16/c1-25(2)18-32(43(51)67)56-47(71)35(24-73-49-42(66)41(65)40(64)36(23-59)74-49)55-37(62)12-9-17-52-45(69)33(19-26(3)4)57-46(70)34(21-28-10-7-6-8-11-28)54-38(63)22-53-48(72)39(27(5)60)58-44(68)31(50)20-29-13-15-30(61)16-14-29/h6-8,10-11,13-16,25-27,31-36,39-42,49,59-61,64-66H,9,12,17-24,50H2,1-5H3,(H2,51,67)(H,52,69)(H,53,72)(H,54,63)(H,55,62)(H,56,71)(H,57,70)(H,58,68)/t27-,31+,32+,33+,34+,35+,36-,39+,40-,41+,42-,49-/s2
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71n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108965
PNG
(CHEMBL3597087)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C90H146N20O27/c1-45(2)35-58(74(95)121)101-83(130)64(44-136-88-73(120)72(119)71(118)66(43-111)137-88)106-78(125)56(24-17-19-33-92)100-80(127)59(36-46(3)4)102-75(122)49(9)97-77(124)55(23-16-18-32-91)99-79(126)57(30-31-69(116)117)107-89(135)90(11,12)109-84(131)60(37-47(5)6)103-82(129)62(41-67(94)114)104-85(132)65-25-20-34-110(65)87(134)63(38-48(7)8)105-81(128)61(40-51-21-14-13-15-22-51)98-68(115)42-96-86(133)70(50(10)112)108-76(123)54(93)39-52-26-28-53(113)29-27-52/h13-15,21-22,26-29,45-50,54-66,70-73,88,111-113,118-120H,16-20,23-25,30-44,91-93H2,1-12H3,(H2,94,114)(H2,95,121)(H,96,133)(H,97,124)(H,98,115)(H,99,126)(H,100,127)(H,101,130)(H,102,122)(H,103,129)(H,104,132)(H,105,128)(H,106,125)(H,107,135)(H,108,123)(H,109,131)(H,116,117)/t49-,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66+,70-,71+,72-,73+,88+/s2
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73n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108965
PNG
(CHEMBL3597087)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C90H146N20O27/c1-45(2)35-58(74(95)121)101-83(130)64(44-136-88-73(120)72(119)71(118)66(43-111)137-88)106-78(125)56(24-17-19-33-92)100-80(127)59(36-46(3)4)102-75(122)49(9)97-77(124)55(23-16-18-32-91)99-79(126)57(30-31-69(116)117)107-89(135)90(11,12)109-84(131)60(37-47(5)6)103-82(129)62(41-67(94)114)104-85(132)65-25-20-34-110(65)87(134)63(38-48(7)8)105-81(128)61(40-51-21-14-13-15-22-51)98-68(115)42-96-86(133)70(50(10)112)108-76(123)54(93)39-52-26-28-53(113)29-27-52/h13-15,21-22,26-29,45-50,54-66,70-73,88,111-113,118-120H,16-20,23-25,30-44,91-93H2,1-12H3,(H2,94,114)(H2,95,121)(H,96,133)(H,97,124)(H,98,115)(H,99,126)(H,100,127)(H,101,130)(H,102,122)(H,103,129)(H,104,132)(H,105,128)(H,106,125)(H,107,135)(H,108,123)(H,109,131)(H,116,117)/t49-,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66+,70-,71+,72-,73+,88+/s2
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78n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108956
PNG
(CHEMBL3597074)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C87H140N20O26/c1-45(2)36-57(72(92)118)99-81(127)61(44-132-85-71(117)70(116)69(115)64(43-108)133-85)103-77(123)55(23-16-18-33-89)98-79(125)58(37-46(3)4)100-74(120)49(8)96-76(122)54(22-15-17-32-88)97-78(124)56(29-30-68(113)114)104-86(131)87(9,10)105-82(128)59(38-47(5)6)101-80(126)60(41-65(91)110)102-84(130)62-24-19-35-107(62)66(111)31-34-93-83(129)63(40-50-20-13-12-14-21-50)106(11)67(112)42-94-73(119)48(7)95-75(121)53(90)39-51-25-27-52(109)28-26-51/h12-14,20-21,25-28,45-49,53-64,69-71,85,108-109,115-117H,15-19,22-24,29-44,88-90H2,1-11H3,(H2,91,110)(H2,92,118)(H,93,129)(H,94,119)(H,95,121)(H,96,122)(H,97,124)(H,98,125)(H,99,127)(H,100,120)(H,101,126)(H,102,130)(H,103,123)(H,104,131)(H,105,128)(H,113,114)/t48-,49+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64-,69-,70+,71-,85-/s2
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100n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108972
PNG
(CHEMBL3597079)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C80H127N21O26/c1-38(2)25-48(66(86)113)94-75(122)54(37-126-78-65(112)64(111)63(110)56(36-102)127-78)98-70(117)47(19-15-16-24-81)93-72(119)49(26-39(3)4)95-68(115)42(8)91-71(118)52(31-58(84)105)97-74(121)53(32-59(85)106)99-79(125)80(9,10)100-76(123)50(27-40(5)6)96-73(120)51(30-57(83)104)92-61(108)34-87-60(107)33-88-77(124)55(29-43-17-13-12-14-18-43)101(11)62(109)35-89-67(114)41(7)90-69(116)46(82)28-44-20-22-45(103)23-21-44/h12-14,17-18,20-23,38-42,46-56,63-65,78,102-103,110-112H,15-16,19,24-37,81-82H2,1-11H3,(H2,83,104)(H2,84,105)(H2,85,106)(H2,86,113)(H,87,107)(H,88,124)(H,89,114)(H,90,116)(H,91,118)(H,92,108)(H,93,119)(H,94,122)(H,95,115)(H,96,120)(H,97,121)(H,98,117)(H,99,125)(H,100,123)/t41-,42+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56-,63-,64+,65-,78-/s2
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120n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108959
PNG
(CHEMBL3597071)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C82H133N19O25/c1-42(2)33-54(68(87)112)95-77(121)58(41-125-80-67(111)66(110)65(109)60(40-102)126-80)98-73(117)52(22-16-18-31-84)94-75(119)55(34-43(3)4)96-70(114)46(8)91-72(116)51(21-15-17-30-83)93-74(118)53(27-28-64(107)108)99-81(124)82(9,10)100-78(122)56(35-44(5)6)97-76(120)57(38-61(86)104)92-62(105)29-32-88-79(123)59(37-47-19-13-12-14-20-47)101(11)63(106)39-89-69(113)45(7)90-71(115)50(85)36-48-23-25-49(103)26-24-48/h12-14,19-20,23-26,42-46,50-60,65-67,80,102-103,109-111H,15-18,21-22,27-41,83-85H2,1-11H3,(H2,86,104)(H2,87,112)(H,88,123)(H,89,113)(H,90,115)(H,91,116)(H,92,105)(H,93,118)(H,94,119)(H,95,121)(H,96,114)(H,97,120)(H,98,117)(H,99,124)(H,100,122)(H,107,108)/t45-,46+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,65-,66+,67-,80-/s2
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200n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Purchase

CHEMBL
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PubMed
270n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5728-41 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair
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