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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'fang' and Initial = 'wj'   
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
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297345
PNG
((5S,8S,13R,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42+,43-,44-,45-,46-,47-,48-,50-/m0/s1
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0.840n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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1.85n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297345
PNG
((5S,8S,13R,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42+,43-,44-,45-,46-,47-,48-,50-/m0/s1
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2.33n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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2.46n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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6.18n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297345
PNG
((5S,8S,13R,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42+,43-,44-,45-,46-,47-,48-,50-/m0/s1
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9.30n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50121933
PNG
(Ac-Phe-Phe-Phe-Arg-Leu-Arg-Arg-D-Ala-Arg-Pro-Lys-N...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H115N25O12/c1-43(2)39-54(95-63(104)52(30-18-36-86-72(80)81)93-66(107)56(41-47-23-10-6-11-24-47)97-67(108)57(42-48-25-12-7-13-26-48)96-65(106)55(89-45(4)99)40-46-21-8-5-9-22-46)64(105)92-51(29-17-35-85-71(78)79)62(103)91-50(28-16-34-84-70(76)77)61(102)88-44(3)60(101)94-53(31-19-37-87-73(82)83)69(110)98-38-20-32-58(98)68(109)90-49(59(75)100)27-14-15-33-74/h5-13,21-26,43-44,49-58H,14-20,27-42,74H2,1-4H3,(H2,75,100)(H,88,102)(H,89,99)(H,90,109)(H,91,103)(H,92,105)(H,93,107)(H,94,101)(H,95,104)(H,96,106)(H,97,108)(H4,76,77,84)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells after 90 mins by scintillation counting analysis


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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10.9n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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36n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454178
PNG
(CHEMBL4214138)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3ccc(C[C@H](NC(=O)[C@H](Cc4ccccc4)NC(C)=O)C(=O)N1)cc3)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:57|
Show InChI InChI=1S/C80H125N25O14/c1-6-48(4)65(75(116)100-59(25-17-39-94-80(89)90)76(117)105-40-18-26-64(105)74(115)96-55(66(82)107)21-10-11-35-81)104-69(110)58(24-16-38-93-79(87)88)97-67(108)56(22-14-36-91-77(83)84)98-70(111)60(43-47(2)3)101-68(109)57(23-15-37-92-78(85)86)99-72(113)62-45-51-27-31-53(32-28-51)118-41-12-13-42-119-54-33-29-52(30-34-54)46-63(73(114)103-62)102-71(112)61(95-49(5)106)44-50-19-8-7-9-20-50/h7-9,12-13,19-20,27-34,47-48,55-65H,6,10-11,14-18,21-26,35-46,81H2,1-5H3,(H2,82,107)(H,95,106)(H,96,115)(H,97,108)(H,98,111)(H,99,113)(H,100,116)(H,101,109)(H,102,112)(H,103,114)(H,104,110)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/b13-12+/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1
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55n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells after 90 mins by scintillation counting analysis


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454176
PNG
(CHEMBL4217438)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-62(101-70(111)60(94-49(6)105)44-50-22-11-9-12-23-50)72(113)102-61(45-51-24-13-10-14-25-51)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
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66n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells after 90 mins by scintillation counting analysis


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454179
PNG
(CHEMBL4217592)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3ccc(C[C@H](NC(C)=O)C(=O)N1)cc3)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:69|
Show InChI InChI=1S/C80H125N25O14/c1-6-48(4)65(75(116)100-59(25-17-39-94-80(89)90)76(117)105-40-18-26-64(105)74(115)96-55(66(82)107)21-10-11-35-81)104-69(110)58(24-16-38-93-79(87)88)97-67(108)56(22-14-36-91-77(83)84)98-70(111)60(43-47(2)3)101-68(109)57(23-15-37-92-78(85)86)99-72(113)62(44-50-19-8-7-9-20-50)103-73(114)63-46-52-29-33-54(34-30-52)119-42-13-12-41-118-53-31-27-51(28-32-53)45-61(71(112)102-63)95-49(5)106/h7-9,12-13,19-20,27-34,47-48,55-65H,6,10-11,14-18,21-26,35-46,81H2,1-5H3,(H2,82,107)(H,95,106)(H,96,115)(H,97,108)(H,98,111)(H,99,113)(H,100,116)(H,101,109)(H,102,112)(H,103,114)(H,104,110)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/b13-12+/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1
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72n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells after 90 mins by scintillation counting analysis


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454181
PNG
(CHEMBL4206658)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCCC1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-60(94-49(6)105)70(111)101-62(45-51-24-13-10-14-25-51)72(113)102-61(44-50-22-11-9-12-23-50)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,64-/m0/s1
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83n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells after 90 mins by scintillation counting analysis


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297343
PNG
((5S,8S,13S,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CC=CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,50-/m0/s1
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87.2n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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93n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454177
PNG
(CHEMBL4204599)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-62(102-72(113)61(45-51-24-13-10-14-25-51)101-70(111)60(94-49(6)105)44-50-22-11-9-12-23-50)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
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134n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells after 90 mins by scintillation counting analysis


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454180
PNG
(CHEMBL4202742)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1C\C=C\COc2ccc(C[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:21|
Show InChI InChI=1S/C70H105N21O12/c1-4-42(2)57(66(101)87-52(27-17-36-81-70(77)78)67(102)91-37-18-28-56(91)65(100)83-48(58(72)93)23-11-13-33-71)90-61(96)51(26-16-35-80-69(75)76)85-59(94)49-24-12-14-38-103-47-31-29-46(30-32-47)41-55(63(98)86-50(60(95)84-49)25-15-34-79-68(73)74)89-64(99)54(40-45-21-9-6-10-22-45)88-62(97)53(82-43(3)92)39-44-19-7-5-8-20-44/h5-10,12,14,19-22,29-32,42,48-57H,4,11,13,15-18,23-28,33-41,71H2,1-3H3,(H2,72,93)(H,82,92)(H,83,100)(H,84,95)(H,85,94)(H,86,98)(H,87,101)(H,88,97)(H,89,99)(H,90,96)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/b14-12+/t42-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
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398n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells after 90 mins by scintillation counting analysis


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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460n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297343
PNG
((5S,8S,13S,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CC=CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,50-/m0/s1
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763n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454178
PNG
(CHEMBL4214138)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3ccc(C[C@H](NC(=O)[C@H](Cc4ccccc4)NC(C)=O)C(=O)N1)cc3)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:57|
Show InChI InChI=1S/C80H125N25O14/c1-6-48(4)65(75(116)100-59(25-17-39-94-80(89)90)76(117)105-40-18-26-64(105)74(115)96-55(66(82)107)21-10-11-35-81)104-69(110)58(24-16-38-93-79(87)88)97-67(108)56(22-14-36-91-77(83)84)98-70(111)60(43-47(2)3)101-68(109)57(23-15-37-92-78(85)86)99-72(113)62-45-51-27-31-53(32-28-51)118-41-12-13-42-119-54-33-29-52(30-34-54)46-63(73(114)103-62)102-71(112)61(95-49(5)106)44-50-19-8-7-9-20-50/h7-9,12-13,19-20,27-34,47-48,55-65H,6,10-11,14-18,21-26,35-46,81H2,1-5H3,(H2,82,107)(H,95,106)(H,96,115)(H,97,108)(H,98,111)(H,99,113)(H,100,116)(H,101,109)(H,102,112)(H,103,114)(H,104,110)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/b13-12+/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1
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903n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454181
PNG
(CHEMBL4206658)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCCC1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-60(94-49(6)105)70(111)101-62(45-51-24-13-10-14-25-51)72(113)102-61(44-50-22-11-9-12-23-50)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,64-/m0/s1
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1.17E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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1.21E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454177
PNG
(CHEMBL4204599)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-62(102-72(113)61(45-51-24-13-10-14-25-51)101-70(111)60(94-49(6)105)44-50-22-11-9-12-23-50)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
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1.43E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454176
PNG
(CHEMBL4217438)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-62(101-70(111)60(94-49(6)105)44-50-22-11-9-12-23-50)72(113)102-61(45-51-24-13-10-14-25-51)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
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1.46E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50121933
PNG
(Ac-Phe-Phe-Phe-Arg-Leu-Arg-Arg-D-Ala-Arg-Pro-Lys-N...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H115N25O12/c1-43(2)39-54(95-63(104)52(30-18-36-86-72(80)81)93-66(107)56(41-47-23-10-6-11-24-47)97-67(108)57(42-48-25-12-7-13-26-48)96-65(106)55(89-45(4)99)40-46-21-8-5-9-22-46)64(105)92-51(29-17-35-85-71(78)79)62(103)91-50(28-16-34-84-70(76)77)61(102)88-44(3)60(101)94-53(31-19-37-87-73(82)83)69(110)98-38-20-32-58(98)68(109)90-49(59(75)100)27-14-15-33-74/h5-13,21-26,43-44,49-58H,14-20,27-42,74H2,1-4H3,(H2,75,100)(H,88,102)(H,89,99)(H,90,109)(H,91,103)(H,92,105)(H,93,107)(H,94,101)(H,95,104)(H,96,106)(H,97,108)(H4,76,77,84)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
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1.75E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454179
PNG
(CHEMBL4217592)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3ccc(C[C@H](NC(C)=O)C(=O)N1)cc3)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:69|
Show InChI InChI=1S/C80H125N25O14/c1-6-48(4)65(75(116)100-59(25-17-39-94-80(89)90)76(117)105-40-18-26-64(105)74(115)96-55(66(82)107)21-10-11-35-81)104-69(110)58(24-16-38-93-79(87)88)97-67(108)56(22-14-36-91-77(83)84)98-70(111)60(43-47(2)3)101-68(109)57(23-15-37-92-78(85)86)99-72(113)62(44-50-19-8-7-9-20-50)103-73(114)63-46-52-29-33-54(34-30-52)119-42-13-12-41-118-53-31-27-51(28-32-53)45-61(71(112)102-63)95-49(5)106/h7-9,12-13,19-20,27-34,47-48,55-65H,6,10-11,14-18,21-26,35-46,81H2,1-5H3,(H2,82,107)(H,95,106)(H,96,115)(H,97,108)(H,98,111)(H,99,113)(H,100,116)(H,101,109)(H,102,112)(H,103,114)(H,104,110)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/b13-12+/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1
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1.92E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50454180
PNG
(CHEMBL4202742)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1C\C=C\COc2ccc(C[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:21|
Show InChI InChI=1S/C70H105N21O12/c1-4-42(2)57(66(101)87-52(27-17-36-81-70(77)78)67(102)91-37-18-28-56(91)65(100)83-48(58(72)93)23-11-13-33-71)90-61(96)51(26-16-35-80-69(75)76)85-59(94)49-24-12-14-38-103-47-31-29-46(30-32-47)41-55(63(98)86-50(60(95)84-49)25-15-34-79-68(73)74)89-64(99)54(40-45-21-9-6-10-22-45)88-62(97)53(82-43(3)92)39-44-19-7-5-8-20-44/h5-10,12,14,19-22,29-32,42,48-57H,4,11,13,15-18,23-28,33-41,71H2,1-3H3,(H2,72,93)(H,82,92)(H,83,100)(H,84,95)(H,85,94)(H,86,98)(H,87,101)(H,88,97)(H,89,99)(H,90,96)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/b14-12+/t42-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
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3.46E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50121933
PNG
(Ac-Phe-Phe-Phe-Arg-Leu-Arg-Arg-D-Ala-Arg-Pro-Lys-N...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H115N25O12/c1-43(2)39-54(95-63(104)52(30-18-36-86-72(80)81)93-66(107)56(41-47-23-10-6-11-24-47)97-67(108)57(42-48-25-12-7-13-26-48)96-65(106)55(89-45(4)99)40-46-21-8-5-9-22-46)64(105)92-51(29-17-35-85-71(78)79)62(103)91-50(28-16-34-84-70(76)77)61(102)88-44(3)60(101)94-53(31-19-37-87-73(82)83)69(110)98-38-20-32-58(98)68(109)90-49(59(75)100)27-14-15-33-74/h5-13,21-26,43-44,49-58H,14-20,27-42,74H2,1-4H3,(H2,75,100)(H,88,102)(H,89,99)(H,90,109)(H,91,103)(H,92,105)(H,93,107)(H,94,101)(H,95,104)(H,96,106)(H,97,108)(H4,76,77,84)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


Bioorg Med Chem 26: 1157-1161 (2018)


Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297343
PNG
((5S,8S,13S,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CC=CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,50-/m0/s1
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7.67E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillat...


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297343
PNG
((5S,8S,13S,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CC=CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,50-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillat...


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/an/an/a 8.30n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillat...


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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n/an/an/an/a 0.390n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillat...


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297345
PNG
((5S,8S,13R,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42+,43-,44-,45-,46-,47-,48-,50-/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillat...


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair