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Compile Data Set for Download or QSAR

Found 485 hits with Last Name = 'dooley' and Initial = 'ct'   
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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50369460
PNG
(CHEMBL1788109)
Show SMILES C[C@@H](SC(C)=O)C(=O)N1[C@@H](C[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H19NO6S/c1-9(25-10(2)19)15(20)18-13(17(23)24)8-12(16(21)22)14(18)11-6-4-3-5-7-11/h3-7,9,12-14H,8H2,1-2H3,(H,21,22)(H,23,24)/t9-,12+,13+,14+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Enzyme inhibitory activity towards Angiotensin I converting enzyme


J Med Chem 42: 3743-78 (1999)


BindingDB Entry DOI: 10.7270/Q22Z167W
More data for this
Ligand-Target Pair
Nociceptin receptor


(MOUSE)
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 735-41 (1997)


BindingDB Entry DOI: 10.7270/Q2JW8CDH
More data for this
Ligand-Target Pair
Nociceptin receptor


(MOUSE)
BDBM85194
PNG
(Ac-RYYRWR-NH2)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:27.27,50.51,4.3,wD:15.14,39.40,64.67,(-13.35,-1.51,;-12.02,-.73,;-12.02,.81,;-10.7,-1.51,;-9.35,-.73,;-9.35,.81,;-10.7,1.59,;-10.7,3.13,;-9.35,3.92,;-8.02,3.13,;-6.7,3.92,;-8.02,1.57,;-8.02,-1.51,;-8.02,-3.05,;-6.67,-.73,;-5.35,-1.51,;-5.35,-3.05,;-4,-3.84,;-4,-5.38,;-2.67,-6.16,;-1.32,-5.38,;,-6.16,;-1.32,-3.84,;-2.67,-3.05,;-4,-.73,;-4,.81,;-2.67,-1.51,;-1.32,-.73,;-1.32,.81,;,1.57,;,3.13,;1.32,3.92,;2.67,3.13,;4,3.92,;2.67,1.59,;1.32,.81,;,-1.51,;,-3.05,;1.32,-.73,;2.67,-1.51,;2.67,-3.05,;1.32,-3.84,;1.32,-5.38,;2.67,-6.16,;4,-5.38,;5.35,-6.16,;4,-3.84,;4,-.73,;4,.81,;5.35,-1.51,;6.67,-.73,;6.67,.81,;8.02,1.57,;9.51,1.11,;10.37,2.35,;9.51,3.59,;9.89,5.08,;8.75,6.16,;7.27,5.73,;6.89,4.19,;8.02,3.13,;8.02,-1.51,;8.02,-3.05,;9.35,-.73,;10.7,-1.51,;10.7,-3.05,;9.35,-3.84,;9.35,-5.38,;10.7,-6.16,;12.02,-5.38,;12.02,-3.84,;13.36,-6.15,;12.02,-.73,;13.35,-1.51,;12.02,.81,)|
Show InChI InChI=1S/C49H69N17O9/c1-27(67)61-36(10-5-21-58-48(53)54)42(71)64-39(24-29-14-18-32(69)19-15-29)45(74)65-38(23-28-12-16-31(68)17-13-28)44(73)63-37(11-6-22-59-49(55)56)43(72)66-40(25-30-26-60-34-8-3-2-7-33(30)34)46(75)62-35(41(50)70)9-4-20-57-47(51)52/h2-3,7-8,12-19,26,35-40,60,68-69H,4-6,9-11,20-25H2,1H3,(H2,50,70)(H,61,67)(H,62,75)(H,63,73)(H,64,71)(H,65,74)(H,66,72)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)/t35-,36-,37-,38-,39-,40-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 735-41 (1997)


BindingDB Entry DOI: 10.7270/Q2JW8CDH
More data for this
Ligand-Target Pair
Nociceptin receptor


(MOUSE)
BDBM85191
PNG
(Ac-RYYRWK-NH2 | CAS_200959-47-3)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C49H69N15O9/c1-28(65)59-37(11-6-22-56-48(52)53)43(69)62-40(25-30-15-19-33(67)20-16-30)46(72)63-39(24-29-13-17-32(66)18-14-29)45(71)61-38(12-7-23-57-49(54)55)44(70)64-41(26-31-27-58-35-9-3-2-8-34(31)35)47(73)60-36(42(51)68)10-4-5-21-50/h2-3,8-9,13-20,27,36-41,58,66-67H,4-7,10-12,21-26,50H2,1H3,(H2,51,68)(H,59,65)(H,60,73)(H,61,71)(H,62,69)(H,63,72)(H,64,70)(H4,52,53,56)(H4,54,55,57)/t36-,37-,38-,39-,40-,41-/m0/s1
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0.710n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 735-41 (1997)


BindingDB Entry DOI: 10.7270/Q2JW8CDH
More data for this
Ligand-Target Pair
Nociceptin receptor


(MOUSE)
BDBM85193
PNG
(Ac-RYYKWR-NH2)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:27.27,48.49,4.3,wD:15.14,39.40,62.65,(-13.35,-1.51,;-12.02,-.73,;-12.02,.81,;-10.7,-1.51,;-9.35,-.73,;-9.35,.81,;-10.7,1.59,;-10.7,3.13,;-9.35,3.92,;-8.02,3.13,;-6.7,3.92,;-8.02,1.57,;-8.02,-1.51,;-8.02,-3.05,;-6.67,-.73,;-5.35,-1.51,;-5.35,-3.05,;-4,-3.84,;-4,-5.38,;-2.67,-6.16,;-1.32,-5.38,;,-6.16,;-1.32,-3.84,;-2.67,-3.05,;-4,-.73,;-4,.81,;-2.67,-1.51,;-1.32,-.73,;-1.32,.81,;,1.57,;,3.13,;1.32,3.92,;2.67,3.13,;4,3.92,;2.67,1.59,;1.32,.81,;,-1.51,;,-3.05,;1.32,-.73,;2.67,-1.51,;2.67,-3.05,;1.32,-3.84,;1.32,-5.38,;2.67,-6.16,;4,-5.38,;4,-.73,;4,.81,;5.35,-1.51,;6.67,-.73,;6.67,.81,;8.02,1.57,;9.51,1.11,;10.37,2.35,;9.51,3.59,;9.89,5.08,;8.75,6.16,;7.27,5.73,;6.89,4.19,;8.02,3.13,;8.02,-1.51,;8.02,-3.05,;9.35,-.73,;10.7,-1.51,;10.7,-3.05,;9.35,-3.84,;9.35,-5.38,;10.7,-6.16,;12.02,-5.38,;12.02,-3.84,;13.36,-6.15,;12.02,-.73,;13.35,-1.51,;12.02,.81,)|
Show InChI InChI=1S/C49H69N15O9/c1-28(65)59-37(12-7-23-57-49(54)55)43(69)62-40(25-30-15-19-33(67)20-16-30)46(72)63-39(24-29-13-17-32(66)18-14-29)45(71)61-38(10-4-5-21-50)44(70)64-41(26-31-27-58-35-9-3-2-8-34(31)35)47(73)60-36(42(51)68)11-6-22-56-48(52)53/h2-3,8-9,13-20,27,36-41,58,66-67H,4-7,10-12,21-26,50H2,1H3,(H2,51,68)(H,59,65)(H,60,73)(H,61,71)(H,62,69)(H,63,72)(H,64,70)(H4,52,53,56)(H4,54,55,57)/t36-,37-,38-,39-,40-,41-/m0/s1
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1.47n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 735-41 (1997)


BindingDB Entry DOI: 10.7270/Q2JW8CDH
More data for this
Ligand-Target Pair
Nociceptin receptor


(MOUSE)
BDBM85192
PNG
(Ac-RYYRIK-NH2 | CAS_200959-48-4)
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]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C44H70N14O9/c1-4-25(2)36(42(67)54-31(37(46)62)9-5-6-20-45)58-39(64)33(11-8-22-52-44(49)50)55-40(65)34(23-27-12-16-29(60)17-13-27)57-41(66)35(24-28-14-18-30(61)19-15-28)56-38(63)32(53-26(3)59)10-7-21-51-43(47)48/h12-19,25,31-36,60-61H,4-11,20-24,45H2,1-3H3,(H2,46,62)(H,53,59)(H,54,67)(H,55,65)(H,56,63)(H,57,66)(H,58,64)(H4,47,48,51)(H4,49,50,52)/t25-,31-,32-,33-,34-,35-,36-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 735-41 (1997)


BindingDB Entry DOI: 10.7270/Q2JW8CDH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094772
PNG
(CHEMBL3589796)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1CCc1ccccc1)C(C)C |r,c:21,24|
Show InChI InChI=1S/C25H22N4O3/c1-32-20-10-6-5-9-18(20)24(30)28-23-25(31)29-12-11-16-13-17(26)14-19(22(16)29)21(27-23)15-7-3-2-4-8-15/h2-10,13-14,23H,11-12,26H2,1H3,(H,28,30)/t23-/m0/s1
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23n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094772
PNG
(CHEMBL3589796)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1CCc1ccccc1)C(C)C |r,c:21,24|
Show InChI InChI=1S/C25H22N4O3/c1-32-20-10-6-5-9-18(20)24(30)28-23-25(31)29-12-11-16-13-17(26)14-19(22(16)29)21(27-23)15-7-3-2-4-8-15/h2-10,13-14,23H,11-12,26H2,1H3,(H,28,30)/t23-/m0/s1
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32n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094764
PNG
(CHEMBL3589705)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@@H](Cc4ccccc4)CN=C3C=C2N1CCc1ccccc1 |r,c:29,32|
Show InChI InChI=1S/C23H19N5O2/c24-17-12-16-8-11-28-20(16)18(13-17)19(14-4-2-1-3-5-14)26-21(23(28)30)27-22(29)15-6-9-25-10-7-15/h1-7,9-10,12-13,21H,8,11,24H2,(H,27,29)/t21-/m0/s1
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37n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094774
PNG
(CHEMBL3589798)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Show InChI InChI=1S/C28H28N6O4/c1-28(2,3)38-27(37)31-21-15-30-11-9-19(21)25(35)33-24-26(36)34-12-10-17-13-18(29)14-20(23(17)34)22(32-24)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12,29H2,1-3H3,(H,31,37)(H,33,35)/t24-/m0/s1
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50n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094763
PNG
(CHEMBL3589704)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@@H](Cc4ccccc4)CN=C3C=C2N1 |r,c:29,32|
Show InChI InChI=1S/C28H25Cl2N5O2/c29-21-13-18(14-22(30)23(21)31)27(36)33-26-28(37)35-11-8-17-12-19(34-9-4-5-10-34)15-20(25(17)35)24(32-26)16-6-2-1-3-7-16/h1-3,6-7,12-15,26H,4-5,8-11,31H2,(H,33,36)/t26-/m0/s1
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57n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50101997
PNG
(CHEMBL3326769)
Show SMILES CC(C)C[C@@H](CN)NC[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C32H53N5O/c1-25(2)18-28(21-33)34-22-30(19-26-10-7-6-8-11-26)36(5)23-29-12-9-17-37(29)24-31(35(3)4)20-27-13-15-32(38)16-14-27/h6-8,10-11,13-16,25,28-31,34,38H,9,12,17-24,33H2,1-5H3/t28-,29-,30-,31-/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094773
PNG
(CHEMBL3589797)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:31,34|
Show InChI InChI=1S/C24H20N4O3/c1-31-18-13-17-9-12-28-21(17)19(14-18)20(15-5-3-2-4-6-15)26-22(24(28)30)27-23(29)16-7-10-25-11-8-16/h2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29)/t22-/m0/s1
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69n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094766
PNG
(CHEMBL3589707)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Show InChI InChI=1S/C23H16Cl2N4O2/c24-16-11-26-12-17(25)18(16)22(30)28-21-23(31)29-10-9-14-7-4-8-15(20(14)29)19(27-21)13-5-2-1-3-6-13/h1-8,11-12,21H,9-10H2,(H,28,30)/t21-/m0/s1
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188n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094771
PNG
(CHEMBL3589795)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1)C(C)C |r,c:21,24|
Show InChI InChI=1S/C27H21N5O2/c28-20-12-18-10-11-32-24(18)21(14-20)23(16-6-2-1-3-7-16)30-25(27(32)34)31-26(33)22-13-17-8-4-5-9-19(17)15-29-22/h1-9,12-15,25H,10-11,28H2,(H,31,33)/t25-/m0/s1
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209n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094771
PNG
(CHEMBL3589795)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1)C(C)C |r,c:21,24|
Show InChI InChI=1S/C27H21N5O2/c28-20-12-18-10-11-32-24(18)21(14-20)23(16-6-2-1-3-7-16)30-25(27(32)34)31-26(33)22-13-17-8-4-5-9-19(17)15-29-22/h1-9,12-15,25H,10-11,28H2,(H,31,33)/t25-/m0/s1
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215n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094776
PNG
(CHEMBL3589800)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:32,35|
Show InChI InChI=1S/C23H18N4O2/c28-22(17-9-12-24-13-10-17)26-21-23(29)27-14-11-16-7-4-8-18(20(16)27)19(25-21)15-5-2-1-3-6-15/h1-10,12-13,21H,11,14H2,(H,26,28)/t21-/m0/s1
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246n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50101998
PNG
(CHEMBL3326768)
Show SMILES CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C34H51N5O3/c1-25(2)18-29-21-35-33(41)34(42)39(29)24-31(20-26-10-7-6-8-11-26)37(5)22-28-12-9-17-38(28)23-30(36(3)4)19-27-13-15-32(40)16-14-27/h6-8,10-11,13-16,25,28-31,40H,9,12,17-24H2,1-5H3,(H,35,41)/t28-,29-,30-,31-/m0/s1
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250n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094775
PNG
(CHEMBL3589799)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:32,35|
Show InChI InChI=1S/C24H18Cl2N4O2/c1-13-9-15-7-8-30-21(15)16(10-13)20(14-5-3-2-4-6-14)28-22(24(30)32)29-23(31)19-17(25)11-27-12-18(19)26/h2-6,9-12,22H,7-8H2,1H3,(H,29,31)/t22-/m0/s1
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316n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094765
PNG
(CHEMBL3589706)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1 |r,c:31,34|
Show InChI InChI=1S/C23H19N5O2/c24-18-13-25-11-9-16(18)22(29)27-21-23(30)28-12-10-15-7-4-8-17(20(15)28)19(26-21)14-5-2-1-3-6-14/h1-9,11,13,21H,10,12,24H2,(H,27,29)/t21-/m0/s1
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338n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094776
PNG
(CHEMBL3589800)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:32,35|
Show InChI InChI=1S/C23H18N4O2/c28-22(17-9-12-24-13-10-17)26-21-23(29)27-14-11-16-7-4-8-18(20(16)27)19(25-21)15-5-2-1-3-6-15/h1-10,12-13,21H,11,14H2,(H,26,28)/t21-/m0/s1
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392n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094774
PNG
(CHEMBL3589798)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Show InChI InChI=1S/C28H28N6O4/c1-28(2,3)38-27(37)31-21-15-30-11-9-19(21)25(35)33-24-26(36)34-12-10-17-13-18(29)14-20(23(17)34)22(32-24)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12,29H2,1-3H3,(H,31,37)(H,33,35)/t24-/m0/s1
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393n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102027
PNG
(CHEMBL3326767)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C33H51N5OS/c1-25(2)18-29-21-34-33(40)38(29)24-31(20-26-10-7-6-8-11-26)36(5)22-28-12-9-17-37(28)23-30(35(3)4)19-27-13-15-32(39)16-14-27/h6-8,10-11,13-16,25,28-31,39H,9,12,17-24H2,1-5H3,(H,34,40)/t28-,29-,30-,31-/m0/s1
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430n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094775
PNG
(CHEMBL3589799)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:32,35|
Show InChI InChI=1S/C24H18Cl2N4O2/c1-13-9-15-7-8-30-21(15)16(10-13)20(14-5-3-2-4-6-14)28-22(24(30)32)29-23(31)19-17(25)11-27-12-18(19)26/h2-6,9-12,22H,7-8H2,1H3,(H,29,31)/t22-/m0/s1
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552n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094761
PNG
(CHEMBL3589702)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1 |r,c:30,33|
Show InChI InChI=1S/C30H32N4O/c35-28-13-11-24(12-14-28)15-25-20-33-27(17-23-9-5-2-6-10-23)21-34-26(16-22-7-3-1-4-8-22)19-31-29(34)18-30(33)32-25/h1-14,18,25-27,32,35H,15-17,19-21H2/t25-,26-,27-/m0/s1
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566n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094773
PNG
(CHEMBL3589797)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:31,34|
Show InChI InChI=1S/C24H20N4O3/c1-31-18-13-17-9-12-28-21(17)19(14-18)20(15-5-3-2-4-6-15)26-22(24(28)30)27-23(29)16-7-10-25-11-8-16/h2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29)/t22-/m0/s1
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605n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094764
PNG
(CHEMBL3589705)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@@H](Cc4ccccc4)CN=C3C=C2N1CCc1ccccc1 |r,c:29,32|
Show InChI InChI=1S/C23H19N5O2/c24-17-12-16-8-11-28-20(16)18(13-17)19(14-4-2-1-3-5-14)26-21(23(28)30)27-22(29)15-6-9-25-10-7-15/h1-7,9-10,12-13,21H,8,11,24H2,(H,27,29)/t21-/m0/s1
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642n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094772
PNG
(CHEMBL3589796)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1CCc1ccccc1)C(C)C |r,c:21,24|
Show InChI InChI=1S/C25H22N4O3/c1-32-20-10-6-5-9-18(20)24(30)28-23-25(31)29-12-11-16-13-17(26)14-19(22(16)29)21(27-23)15-7-3-2-4-8-15/h2-10,13-14,23H,11-12,26H2,1H3,(H,28,30)/t23-/m0/s1
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721n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102073
PNG
(CHEMBL3326662)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)N(C)C)C1=S |r|
Show InChI InChI=1S/C33H50N6OS2/c1-25(2)19-28-22-34-32(41)39(28)24-30(21-26-9-7-6-8-10-26)36(5)15-16-37-17-18-38(33(37)42)23-29(35(3)4)20-27-11-13-31(40)14-12-27/h6-14,25,28-30,40H,15-24H2,1-5H3,(H,34,41)/t28-,29-,30-/m0/s1
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740n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094774
PNG
(CHEMBL3589798)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Show InChI InChI=1S/C28H28N6O4/c1-28(2,3)38-27(37)31-21-15-30-11-9-19(21)25(35)33-24-26(36)34-12-10-17-13-18(29)14-20(23(17)34)22(32-24)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12,29H2,1-3H3,(H,31,37)(H,33,35)/t24-/m0/s1
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767n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094766
PNG
(CHEMBL3589707)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Show InChI InChI=1S/C23H16Cl2N4O2/c24-16-11-26-12-17(25)18(16)22(30)28-21-23(31)29-10-9-14-7-4-8-15(20(14)29)19(27-21)13-5-2-1-3-6-13/h1-8,11-12,21H,9-10H2,(H,28,30)/t21-/m0/s1
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878n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094764
PNG
(CHEMBL3589705)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@@H](Cc4ccccc4)CN=C3C=C2N1CCc1ccccc1 |r,c:29,32|
Show InChI InChI=1S/C23H19N5O2/c24-17-12-16-8-11-28-20(16)18(13-17)19(14-4-2-1-3-5-14)26-21(23(28)30)27-22(29)15-6-9-25-10-7-15/h1-7,9-10,12-13,21H,8,11,24H2,(H,27,29)/t21-/m0/s1
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949n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094768
PNG
(CHEMBL3589709)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccccc3)CN3[C@H](CN=C3C=C2N1CCc1ccccc1)C(C)C |r,c:20,23|
Show InChI InChI=1S/C23H18N4O2/c28-22(17-9-5-12-24-14-17)26-21-23(29)27-13-11-16-8-4-10-18(20(16)27)19(25-21)15-6-2-1-3-7-15/h1-10,12,14,21H,11,13H2,(H,26,28)/t21-/m0/s1
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1.02E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094767
PNG
(CHEMBL3589708)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccccc3)CN3[C@H](CN=C3C=C2N1)C(C)C |r,c:20,23|
Show InChI InChI=1S/C23H34N4/c1-16(2)10-19-14-26-20(11-18-8-6-5-7-9-18)15-27-21(17(3)4)13-24-22(27)12-23(26)25-19/h5-9,12,16-17,19-21,25H,10-11,13-15H2,1-4H3/t19-,20-,21+/m0/s1
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1.08E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102030
PNG
(CHEMBL3326663)
Show SMILES CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)N(C)C)C1=N |r|
Show InChI InChI=1S/C33H52N8O/c1-25(2)19-28-22-36-32(34)41(28)24-30(21-26-9-7-6-8-10-26)38(5)15-16-39-17-18-40(33(39)35)23-29(37(3)4)20-27-11-13-31(42)14-12-27/h6-14,25,28-30,35,42H,15-24H2,1-5H3,(H2,34,36)/t28-,29-,30-/m0/s1
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1.08E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094770
PNG
(CHEMBL3589794)
Show SMILES CC(C)[C@H]1CN=C2C=C3N(CCc4ccccc4)[C@@H](Cc4ccc(O)cc4)CN3[C@@H](Cc3ccccc3)CN12 |r,t:5,7|
Show InChI InChI=1S/C25H22N8O2/c1-13-10-19-29-30-20(14(2)33(19)31-13)24(34)28-23-25(35)32-9-8-16-11-17(26)12-18(22(16)32)21(27-23)15-6-4-3-5-7-15/h3-7,10-12,23H,8-9,26H2,1-2H3,(H,28,34)/t23-/m0/s1
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1.11E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102095
PNG
(CHEMBL3326659)
Show SMILES CN[C@H](CNCC(=O)N(C)CCN(C)[C@H](CN[C@H](CN)CC(C)C)Cc1ccccc1)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C31H52N6O2/c1-24(2)17-27(20-32)35-22-29(19-25-9-7-6-8-10-25)36(4)15-16-37(5)31(39)23-34-21-28(33-3)18-26-11-13-30(38)14-12-26/h6-14,24,27-29,33-35,38H,15-23,32H2,1-5H3/t27-,28-,29-/m0/s1
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1.11E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102029
PNG
(CHEMBL3326664)
Show SMILES CC(C)C[C@H]1CNCCN1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)N(C)C)CC1 |r|
Show InChI InChI=1S/C35H58N6O/c1-29(2)23-32-26-36-15-16-41(32)28-34(25-30-9-7-6-8-10-30)38(5)17-18-39-19-21-40(22-20-39)27-33(37(3)4)24-31-11-13-35(42)14-12-31/h6-14,29,32-34,36,42H,15-28H2,1-5H3/t32-,33-,34-/m0/s1
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1.15E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094765
PNG
(CHEMBL3589706)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1 |r,c:31,34|
Show InChI InChI=1S/C23H19N5O2/c24-18-13-25-11-9-16(18)22(29)27-21-23(30)28-12-10-15-7-4-8-17(20(15)28)19(26-21)14-5-2-1-3-6-14/h1-9,11,13,21H,10,12,24H2,(H,27,29)/t21-/m0/s1
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1.18E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094771
PNG
(CHEMBL3589795)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1)C(C)C |r,c:21,24|
Show InChI InChI=1S/C27H21N5O2/c28-20-12-18-10-11-32-24(18)21(14-20)23(16-6-2-1-3-7-16)30-25(27(32)34)31-26(33)22-13-17-8-4-5-9-19(17)15-29-22/h1-9,12-15,25H,10-11,28H2,(H,31,33)/t25-/m0/s1
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1.19E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50101997
PNG
(CHEMBL3326769)
Show SMILES CC(C)C[C@@H](CN)NC[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C32H53N5O/c1-25(2)18-28(21-33)34-22-30(19-26-10-7-6-8-11-26)36(5)23-29-12-9-17-37(29)24-31(35(3)4)20-27-13-15-32(38)16-14-27/h6-8,10-11,13-16,25,28-31,34,38H,9,12,17-24,33H2,1-5H3/t28-,29-,30-,31-/m0/s1
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1.28E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094762
PNG
(CHEMBL3589703)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:30,33|
Show InChI InChI=1S/C38H40N4O/c43-36-18-16-32(17-19-36)24-34-28-42-35(23-31-14-8-3-9-15-31)27-41-33(22-30-12-6-2-7-13-30)26-39-37(41)25-38(42)40(34)21-20-29-10-4-1-5-11-29/h1-19,25,33-35,43H,20-24,26-28H2/t33-,34-,35-/m0/s1
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1.29E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094766
PNG
(CHEMBL3589707)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Show InChI InChI=1S/C23H16Cl2N4O2/c24-16-11-26-12-17(25)18(16)22(30)28-21-23(31)29-10-9-14-7-4-8-15(20(14)29)19(27-21)13-5-2-1-3-6-13/h1-8,11-12,21H,9-10H2,(H,28,30)/t21-/m0/s1
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1.31E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094763
PNG
(CHEMBL3589704)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@@H](Cc4ccccc4)CN=C3C=C2N1 |r,c:29,32|
Show InChI InChI=1S/C28H25Cl2N5O2/c29-21-13-18(14-22(30)23(21)31)27(36)33-26-28(37)35-11-8-17-12-19(34-9-4-5-10-34)15-20(25(17)35)24(32-26)16-6-2-1-3-7-16/h1-3,6-7,12-15,26H,4-5,8-11,31H2,(H,33,36)/t26-/m0/s1
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1.33E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094770
PNG
(CHEMBL3589794)
Show SMILES CC(C)[C@H]1CN=C2C=C3N(CCc4ccccc4)[C@@H](Cc4ccc(O)cc4)CN3[C@@H](Cc3ccccc3)CN12 |r,t:5,7|
Show InChI InChI=1S/C25H22N8O2/c1-13-10-19-29-30-20(14(2)33(19)31-13)24(34)28-23-25(35)32-9-8-16-11-17(26)12-18(22(16)32)21(27-23)15-6-4-3-5-7-15/h3-7,10-12,23H,8-9,26H2,1-2H3,(H,28,34)/t23-/m0/s1
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1.38E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094768
PNG
(CHEMBL3589709)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccccc3)CN3[C@H](CN=C3C=C2N1CCc1ccccc1)C(C)C |r,c:20,23|
Show InChI InChI=1S/C23H18N4O2/c28-22(17-9-5-12-24-14-17)26-21-23(29)27-13-11-16-8-4-10-18(20(16)27)19(25-21)15-6-2-1-3-7-15/h1-10,12,14,21H,11,13H2,(H,26,28)/t21-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102095
PNG
(CHEMBL3326659)
Show SMILES CN[C@H](CNCC(=O)N(C)CCN(C)[C@H](CN[C@H](CN)CC(C)C)Cc1ccccc1)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C31H52N6O2/c1-24(2)17-27(20-32)35-22-29(19-25-9-7-6-8-10-25)36(4)15-16-37(5)31(39)23-34-21-28(33-3)18-26-11-13-30(38)14-12-26/h6-14,24,27-29,33-35,38H,15-23,32H2,1-5H3/t27-,28-,29-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094776
PNG
(CHEMBL3589800)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:32,35|
Show InChI InChI=1S/C23H18N4O2/c28-22(17-9-12-24-13-10-17)26-21-23(29)27-14-11-16-7-4-8-18(20(16)27)19(25-21)15-5-2-1-3-6-15/h1-10,12-13,21H,11,14H2,(H,26,28)/t21-/m0/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50101994
PNG
(CHEMBL3326772)
Show SMILES CC(C)CC(CN)NCC(Cc1ccccc1)N(C)CCCCCNCC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H51N5O/c1-24(2)18-28(21-31)34-23-29(20-25-10-6-4-7-11-25)35(3)17-9-5-8-16-33-22-27(32)19-26-12-14-30(36)15-13-26/h4,6-7,10-15,24,27-29,33-34,36H,5,8-9,16-23,31-32H2,1-3H3
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1.62E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50101994
PNG
(CHEMBL3326772)
Show SMILES CC(C)CC(CN)NCC(Cc1ccccc1)N(C)CCCCCNCC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H51N5O/c1-24(2)18-28(21-31)34-23-29(20-25-10-6-4-7-11-25)35(3)17-9-5-8-16-33-22-27(32)19-26-12-14-30(36)15-13-26/h4,6-7,10-15,24,27-29,33-34,36H,5,8-9,16-23,31-32H2,1-3H3
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1.79E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
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