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Compile Data Set for Download or QSAR

Found 459 hits with Last Name = 'petrov' and Initial = 'rr'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491858
PNG
(CHEMBL2387338)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H62N8O7/c1-34(2)28-42(48(63)53-33-46(61)57(38-16-10-5-11-17-38)39-23-26-56(27-24-39)25-22-35-12-6-3-7-13-35)55-49(64)43(30-36-14-8-4-9-15-36)54-45(60)32-51-44(59)31-52-47(62)41(50)29-37-18-20-40(58)21-19-37/h3-21,34,39,41-43,58H,22-33,50H2,1-2H3,(H,51,59)(H,52,62)(H,53,63)(H,54,60)(H,55,64)/t41-,42-,43-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491860
PNG
(CHEMBL2387215)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C86H122ClN21O15/c1-52(2)45-69(105-81(119)70(49-58-28-30-59(87)31-29-58)100-73(111)51-98-75(113)55(5)99-76(114)64(88)50-63-53(3)46-62(109)47-54(63)4)80(118)102-66(27-18-40-95-85(92)93)77(115)101-65(26-17-39-94-84(90)91)78(116)103-67(32-33-72(89)110)79(117)106-71(48-57-21-11-7-12-22-57)82(120)104-68(83(121)122)25-15-16-38-96-86(123)97-41-34-74(112)108(60-23-13-8-14-24-60)61-36-43-107(44-37-61)42-35-56-19-9-6-10-20-56/h6-14,19-24,28-31,46-47,52,55,61,64-71,109H,15-18,25-27,32-45,48-51,88H2,1-5H3,(H2,89,110)(H,98,113)(H,99,114)(H,100,111)(H,101,115)(H,102,118)(H,103,116)(H,104,120)(H,105,119)(H,106,117)(H,121,122)(H4,90,91,94)(H4,92,93,95)(H2,96,97,123)/t55-,64+,65-,66+,67+,68+,69+,70+,71+/m1/s1
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0.150n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491854
PNG
(CHEMBL2387327)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r|
Show InChI InChI=1S/C64H88ClN11O10/c1-39(2)32-53(59(67)81)73-62(84)52(22-23-56(78)68-28-24-58(80)76(47-16-12-9-13-17-47)48-26-30-75(31-27-48)29-25-44-14-10-8-11-15-44)72-63(85)54(33-40(3)4)74-64(86)55(36-45-18-20-46(65)21-19-45)71-57(79)38-69-60(82)43(7)70-61(83)51(66)37-50-41(5)34-49(77)35-42(50)6/h8-21,34-35,39-40,43,48,51-55,77H,22-33,36-38,66H2,1-7H3,(H2,67,81)(H,68,78)(H,69,82)(H,70,83)(H,71,79)(H,72,85)(H,73,84)(H,74,86)/t43-,51+,52+,53+,54-,55+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491856
PNG
(CHEMBL2387214)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C75H100N16O12/c1-48(2)42-62(88-71(99)63(44-51-20-9-5-10-21-51)85-65(93)47-83-67(95)49(3)84-68(96)58(76)43-52-28-30-56(92)31-29-52)70(98)86-60(27-17-37-79-74(77)78)69(97)89-64(45-53-46-82-59-25-14-13-24-57(53)59)72(100)87-61(73(101)102)26-15-16-36-80-75(103)81-38-32-66(94)91(54-22-11-6-12-23-54)55-34-40-90(41-35-55)39-33-50-18-7-4-8-19-50/h4-14,18-25,28-31,46,48-49,55,58,60-64,82,92H,15-17,26-27,32-45,47,76H2,1-3H3,(H,83,95)(H,84,96)(H,85,93)(H,86,98)(H,87,100)(H,88,99)(H,89,97)(H,101,102)(H4,77,78,79)(H2,80,81,103)/t49-,58-,60-,61-,62+,63-,64-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491865
PNG
(CHEMBL2387211)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CCC(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C61H83N11O10/c1-38(2)52(58(80)66-48(54(63)76)27-28-50(74)64-37-51(75)72(44-21-15-10-16-22-44)45-30-33-71(34-31-45)32-29-41-17-11-8-12-18-41)68-59(81)53(39(3)4)69-60(82)61(6,7)70-57(79)49(36-42-19-13-9-14-20-42)67-55(77)40(5)65-56(78)47(62)35-43-23-25-46(73)26-24-43/h8-26,38-40,45,47-49,52-53,73H,27-37,62H2,1-7H3,(H2,63,76)(H,64,74)(H,65,78)(H,66,80)(H,67,77)(H,68,81)(H,69,82)(H,70,79)/t40-,47+,48+,49+,52+,53+/m1/s1
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0.280n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491869
PNG
(CHEMBL2387328)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O |r|
Show InChI InChI=1S/C62H72ClF5N10O9/c1-37(73-60(85)46(69)33-39-18-22-44(79)23-19-39)59(84)72-36-51(81)74-49(34-40-16-20-41(63)21-17-40)62(87)75-47(61(86)76-48(58(70)83)35-45-53(64)55(66)57(68)56(67)54(45)65)24-25-50(80)71-29-10-4-9-15-52(82)78(42-13-7-3-8-14-42)43-27-31-77(32-28-43)30-26-38-11-5-2-6-12-38/h2-3,5-8,11-14,16-23,37,43,46-49,79H,4,9-10,15,24-36,69H2,1H3,(H2,70,83)(H,71,80)(H,72,84)(H,73,85)(H,74,81)(H,75,87)(H,76,86)/t37-,46+,47+,48+,49+/m1/s1
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0.280n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491854
PNG
(CHEMBL2387327)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r|
Show InChI InChI=1S/C64H88ClN11O10/c1-39(2)32-53(59(67)81)73-62(84)52(22-23-56(78)68-28-24-58(80)76(47-16-12-9-13-17-47)48-26-30-75(31-27-48)29-25-44-14-10-8-11-15-44)72-63(85)54(33-40(3)4)74-64(86)55(36-45-18-20-46(65)21-19-45)71-57(79)38-69-60(82)43(7)70-61(83)51(66)37-50-41(5)34-49(77)35-42(50)6/h8-21,34-35,39-40,43,48,51-55,77H,22-33,36-38,66H2,1-7H3,(H2,67,81)(H,68,78)(H,69,82)(H,70,83)(H,71,79)(H,72,85)(H,73,84)(H,74,86)/t43-,51+,52+,53+,54-,55+/m1/s1
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0.350n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491857
PNG
(CHEMBL2387213)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C64H90N14O11/c1-42(2)38-53(76-61(86)54(40-45-18-9-5-10-19-45)73-55(80)41-71-57(82)43(3)72-58(83)50(65)39-46-24-26-49(79)27-25-46)60(85)74-51(23-15-33-68-63(66)67)59(84)75-52(62(87)88)22-13-14-32-69-64(89)70-34-28-56(81)78(47-20-11-6-12-21-47)48-30-36-77(37-31-48)35-29-44-16-7-4-8-17-44/h4-12,16-21,24-27,42-43,48,50-54,79H,13-15,22-23,28-41,65H2,1-3H3,(H,71,82)(H,72,83)(H,73,80)(H,74,85)(H,75,84)(H,76,86)(H,87,88)(H4,66,67,68)(H2,69,70,89)/t43-,50+,51+,52+,53-,54+/m1/s1
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0.350n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491852
PNG
(CHEMBL2387339)
Show SMILES CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C51H66N8O7/c1-4-43(56-48(63)42(52)31-38-20-22-41(60)23-21-38)49(64)53-33-46(61)55-45(32-37-16-10-6-11-17-37)51(66)57-44(30-35(2)3)50(65)54-34-47(62)59(39-18-12-7-13-19-39)40-25-28-58(29-26-40)27-24-36-14-8-5-9-15-36/h5-23,35,40,42-45,60H,4,24-34,52H2,1-3H3,(H,53,64)(H,54,65)(H,55,61)(H,56,63)(H,57,66)/t42-,43+,44-,45-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491856
PNG
(CHEMBL2387214)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C75H100N16O12/c1-48(2)42-62(88-71(99)63(44-51-20-9-5-10-21-51)85-65(93)47-83-67(95)49(3)84-68(96)58(76)43-52-28-30-56(92)31-29-52)70(98)86-60(27-17-37-79-74(77)78)69(97)89-64(45-53-46-82-59-25-14-13-24-57(53)59)72(100)87-61(73(101)102)26-15-16-36-80-75(103)81-38-32-66(94)91(54-22-11-6-12-23-54)55-34-40-90(41-35-55)39-33-50-18-7-4-8-19-50/h4-14,18-25,28-31,46,48-49,55,58,60-64,82,92H,15-17,26-27,32-45,47,76H2,1-3H3,(H,83,95)(H,84,96)(H,85,93)(H,86,98)(H,87,100)(H,88,99)(H,89,97)(H,101,102)(H4,77,78,79)(H2,80,81,103)/t49-,58-,60-,61-,62+,63-,64-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491869
PNG
(CHEMBL2387328)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O |r|
Show InChI InChI=1S/C62H72ClF5N10O9/c1-37(73-60(85)46(69)33-39-18-22-44(79)23-19-39)59(84)72-36-51(81)74-49(34-40-16-20-41(63)21-17-40)62(87)75-47(61(86)76-48(58(70)83)35-45-53(64)55(66)57(68)56(67)54(45)65)24-25-50(80)71-29-10-4-9-15-52(82)78(42-13-7-3-8-14-42)43-27-31-77(32-28-43)30-26-38-11-5-2-6-12-38/h2-3,5-8,11-14,16-23,37,43,46-49,79H,4,9-10,15,24-36,69H2,1H3,(H2,70,83)(H,71,80)(H,72,84)(H,73,85)(H,74,81)(H,75,87)(H,76,86)/t37-,46+,47+,48+,49+/m1/s1
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0.510n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491855
PNG
(CHEMBL2387216)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C101H143N27O15/c1-62(2)55-80(123-95(140)81(57-66-27-12-7-13-28-66)118-84(130)61-116-88(133)64(5)117-89(134)74(102)56-68-39-41-72(129)42-40-68)94(139)121-77(36-22-48-110-98(104)105)90(135)119-78(37-23-49-111-99(106)107)91(136)124-82(58-67-29-14-8-15-30-67)96(141)122-79(38-24-50-112-100(108)109)92(137)125-83(59-69-60-115-75-34-19-18-33-73(69)75)97(142)120-76(93(138)126-86(63(3)4)87(103)132)35-20-21-47-113-101(143)114-51-43-85(131)128(70-31-16-9-17-32-70)71-45-53-127(54-46-71)52-44-65-25-10-6-11-26-65/h6-19,25-34,39-42,60,62-64,71,74,76-83,86,115,129H,20-24,35-38,43-59,61,102H2,1-5H3,(H2,103,132)(H,116,133)(H,117,134)(H,118,130)(H,119,135)(H,120,142)(H,121,139)(H,122,141)(H,123,140)(H,124,136)(H,125,137)(H,126,138)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)(H2,113,114,143)/t64-,74+,76+,77+,78+,79+,80+,81+,82-,83+,86+/m1/s1
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0.540n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491853
PNG
(CHEMBL2387329)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O |r|
Show InChI InChI=1S/C74H96F5N15O11/c1-44(2)39-57(92-73(105)58(41-47-19-10-5-11-20-47)88-60(97)43-86-68(100)45(3)87-69(101)53(80)40-48-25-27-51(95)28-26-48)72(104)89-54(23-16-35-85-74(82)83)70(102)90-55(71(103)91-56(67(81)99)42-52-62(75)64(77)66(79)65(78)63(52)76)29-30-59(96)84-34-15-7-14-24-61(98)94(49-21-12-6-13-22-49)50-32-37-93(38-33-50)36-31-46-17-8-4-9-18-46/h4-6,8-13,17-22,25-28,44-45,50,53-58,95H,7,14-16,23-24,29-43,80H2,1-3H3,(H2,81,99)(H,84,96)(H,86,100)(H,87,101)(H,88,97)(H,89,104)(H,90,102)(H,91,103)(H,92,105)(H4,82,83,85)/t45-,53+,54+,55+,56+,57+,58+/m1/s1
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0.630n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491867
PNG
(CHEMBL2387210)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C46H56N8O7/c1-32(51-45(60)39(47)27-35-17-19-38(55)20-18-35)44(59)49-30-42(57)52-40(28-34-13-7-3-8-14-34)46(61)50-29-41(56)48-31-43(58)54(36-15-9-4-10-16-36)37-22-25-53(26-23-37)24-21-33-11-5-2-6-12-33/h2-20,32,37,39-40,55H,21-31,47H2,1H3,(H,48,56)(H,49,59)(H,50,61)(H,51,60)(H,52,57)/t32-,39+,40+/m1/s1
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0.730n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50191056
PNG
((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C45H55N7O6/c1-32(49-44(57)39(46)29-35-17-19-38(53)20-18-35)43(56)48-31-41(54)50-40(30-34-13-7-3-8-14-34)45(58)47-25-21-42(55)52(36-15-9-4-10-16-36)37-23-27-51(28-24-37)26-22-33-11-5-2-6-12-33/h2-20,32,37,39-40,53H,21-31,46H2,1H3,(H,47,58)(H,48,56)(H,49,57)(H,50,54)/t32-,39+,40+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50191056
PNG
((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C45H55N7O6/c1-32(49-44(57)39(46)29-35-17-19-38(53)20-18-35)43(56)48-31-41(54)50-40(30-34-13-7-3-8-14-34)45(58)47-25-21-42(55)52(36-15-9-4-10-16-36)37-23-27-51(28-24-37)26-22-33-11-5-2-6-12-33/h2-20,32,37,39-40,53H,21-31,46H2,1H3,(H,47,58)(H,48,56)(H,49,57)(H,50,54)/t32-,39+,40+/m1/s1
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0.970n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50191056
PNG
((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C45H55N7O6/c1-32(49-44(57)39(46)29-35-17-19-38(53)20-18-35)43(56)48-31-41(54)50-40(30-34-13-7-3-8-14-34)45(58)47-25-21-42(55)52(36-15-9-4-10-16-36)37-23-27-51(28-24-37)26-22-33-11-5-2-6-12-33/h2-20,32,37,39-40,53H,21-31,46H2,1H3,(H,47,58)(H,48,56)(H,49,57)(H,50,54)/t32-,39+,40+/m1/s1
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0.990n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50191056
PNG
((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C45H55N7O6/c1-32(49-44(57)39(46)29-35-17-19-38(53)20-18-35)43(56)48-31-41(54)50-40(30-34-13-7-3-8-14-34)45(58)47-25-21-42(55)52(36-15-9-4-10-16-36)37-23-27-51(28-24-37)26-22-33-11-5-2-6-12-33/h2-20,32,37,39-40,53H,21-31,46H2,1H3,(H,47,58)(H,48,56)(H,49,57)(H,50,54)/t32-,39+,40+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491864
PNG
(CHEMBL2387212)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C59H79N11O10/c1-37(2)52(58(79)63-35-49(61)72)68-59(80)53(38(3)4)67-56(77)47(65-57(78)48(34-41-17-11-7-12-18-41)66-54(75)39(5)64-55(76)46(60)33-42-21-23-45(71)24-22-42)25-26-50(73)62-36-51(74)70(43-19-13-8-14-20-43)44-28-31-69(32-29-44)30-27-40-15-9-6-10-16-40/h6-24,37-39,44,46-48,52-53,71H,25-36,60H2,1-5H3,(H2,61,72)(H,62,73)(H,63,79)(H,64,76)(H,65,78)(H,66,75)(H,67,77)(H,68,80)/t39-,46+,47+,48+,52+,53+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491853
PNG
(CHEMBL2387329)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O |r|
Show InChI InChI=1S/C74H96F5N15O11/c1-44(2)39-57(92-73(105)58(41-47-19-10-5-11-20-47)88-60(97)43-86-68(100)45(3)87-69(101)53(80)40-48-25-27-51(95)28-26-48)72(104)89-54(23-16-35-85-74(82)83)70(102)90-55(71(103)91-56(67(81)99)42-52-62(75)64(77)66(79)65(78)63(52)76)29-30-59(96)84-34-15-7-14-24-61(98)94(49-21-12-6-13-22-49)50-32-37-93(38-33-50)36-31-46-17-8-4-9-18-46/h4-6,8-13,17-22,25-28,44-45,50,53-58,95H,7,14-16,23-24,29-43,80H2,1-3H3,(H2,81,99)(H,84,96)(H,86,100)(H,87,101)(H,88,97)(H,89,104)(H,90,102)(H,91,103)(H,92,105)(H4,82,83,85)/t45-,53+,54+,55+,56+,57+,58+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491860
PNG
(CHEMBL2387215)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C86H122ClN21O15/c1-52(2)45-69(105-81(119)70(49-58-28-30-59(87)31-29-58)100-73(111)51-98-75(113)55(5)99-76(114)64(88)50-63-53(3)46-62(109)47-54(63)4)80(118)102-66(27-18-40-95-85(92)93)77(115)101-65(26-17-39-94-84(90)91)78(116)103-67(32-33-72(89)110)79(117)106-71(48-57-21-11-7-12-22-57)82(120)104-68(83(121)122)25-15-16-38-96-86(123)97-41-34-74(112)108(60-23-13-8-14-24-60)61-36-43-107(44-37-61)42-35-56-19-9-6-10-20-56/h6-14,19-24,28-31,46-47,52,55,61,64-71,109H,15-18,25-27,32-45,48-51,88H2,1-5H3,(H2,89,110)(H,98,113)(H,99,114)(H,100,111)(H,101,115)(H,102,118)(H,103,116)(H,104,120)(H,105,119)(H,106,117)(H,121,122)(H4,90,91,94)(H4,92,93,95)(H2,96,97,123)/t55-,64+,65-,66+,67+,68+,69+,70+,71+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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2.60n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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2.66n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 21: 5859-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.099
BindingDB Entry DOI: 10.7270/Q2K074P5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491852
PNG
(CHEMBL2387339)
Show SMILES CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C51H66N8O7/c1-4-43(56-48(63)42(52)31-38-20-22-41(60)23-21-38)49(64)53-33-46(61)55-45(32-37-16-10-6-11-17-37)51(66)57-44(30-35(2)3)50(65)54-34-47(62)59(39-18-12-7-13-19-39)40-25-28-58(29-26-40)27-24-36-14-8-5-9-15-36/h5-23,35,40,42-45,60H,4,24-34,52H2,1-3H3,(H,53,64)(H,54,65)(H,55,61)(H,56,63)(H,57,66)/t42-,43+,44-,45-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
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(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
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(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491867
PNG
(CHEMBL2387210)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C46H56N8O7/c1-32(51-45(60)39(47)27-35-17-19-38(55)20-18-35)44(59)49-30-42(57)52-40(28-34-13-7-3-8-14-34)46(61)50-29-41(56)48-31-43(58)54(36-15-9-4-10-16-36)37-22-25-53(26-23-37)24-21-33-11-5-2-6-12-33/h2-20,32,37,39-40,55H,21-31,47H2,1H3,(H,48,56)(H,49,59)(H,50,61)(H,51,60)(H,52,57)/t32-,39+,40+/m1/s1
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4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491855
PNG
(CHEMBL2387216)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C101H143N27O15/c1-62(2)55-80(123-95(140)81(57-66-27-12-7-13-28-66)118-84(130)61-116-88(133)64(5)117-89(134)74(102)56-68-39-41-72(129)42-40-68)94(139)121-77(36-22-48-110-98(104)105)90(135)119-78(37-23-49-111-99(106)107)91(136)124-82(58-67-29-14-8-15-30-67)96(141)122-79(38-24-50-112-100(108)109)92(137)125-83(59-69-60-115-75-34-19-18-33-73(69)75)97(142)120-76(93(138)126-86(63(3)4)87(103)132)35-20-21-47-113-101(143)114-51-43-85(131)128(70-31-16-9-17-32-70)71-45-53-127(54-46-71)52-44-65-25-10-6-11-26-65/h6-19,25-34,39-42,60,62-64,71,74,76-83,86,115,129H,20-24,35-38,43-59,61,102H2,1-5H3,(H2,103,132)(H,116,133)(H,117,134)(H,118,130)(H,119,135)(H,120,142)(H,121,139)(H,122,141)(H,123,140)(H,124,136)(H,125,137)(H,126,138)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)(H2,113,114,143)/t64-,74+,76+,77+,78+,79+,80+,81+,82-,83+,86+/m1/s1
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4.60n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50494112
PNG
(CHEMBL2441475)
Show SMILES CCCCCn1c2ccc(cc2c2ccc(OC)cc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C24H30N2O2/c1-3-4-6-15-26-22-12-9-18(24(27)25-13-7-5-8-14-25)16-21(22)20-11-10-19(28-2)17-23(20)26/h9-12,16-17H,3-8,13-15H2,1-2H3
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7.5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491857
PNG
(CHEMBL2387213)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C64H90N14O11/c1-42(2)38-53(76-61(86)54(40-45-18-9-5-10-19-45)73-55(80)41-71-57(82)43(3)72-58(83)50(65)39-46-24-26-49(79)27-25-46)60(85)74-51(23-15-33-68-63(66)67)59(84)75-52(62(87)88)22-13-14-32-69-64(89)70-34-28-56(81)78(47-20-11-6-12-21-47)48-30-36-77(37-31-48)35-29-44-16-7-4-8-17-44/h4-12,16-21,24-27,42-43,48,50-54,79H,13-15,22-23,28-41,65H2,1-3H3,(H,71,82)(H,72,83)(H,73,80)(H,74,85)(H,75,84)(H,76,86)(H,87,88)(H4,66,67,68)(H2,69,70,89)/t43-,50+,51+,52+,53-,54+/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491858
PNG
(CHEMBL2387338)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H62N8O7/c1-34(2)28-42(48(63)53-33-46(61)57(38-16-10-5-11-17-38)39-23-26-56(27-24-39)25-22-35-12-6-3-7-13-35)55-49(64)43(30-36-14-8-4-9-15-36)54-45(60)32-51-44(59)31-52-47(62)41(50)29-37-18-20-40(58)21-19-37/h3-21,34,39,41-43,58H,22-33,50H2,1-2H3,(H,51,59)(H,52,62)(H,53,63)(H,54,60)(H,55,64)/t41-,42-,43-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491861
PNG
(CHEMBL2387341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C50H64N8O7/c1-34(2)29-43(49(64)53-33-46(61)58(39-17-11-6-12-18-39)40-24-27-57(28-25-40)26-23-36-13-7-4-8-14-36)56-50(65)44(31-37-15-9-5-10-16-37)55-45(60)32-52-47(62)35(3)54-48(63)42(51)30-38-19-21-41(59)22-20-38/h4-22,34-35,40,42-44,59H,23-33,51H2,1-3H3,(H,52,62)(H,53,64)(H,54,63)(H,55,60)(H,56,65)/t35-,42+,43+,44+/m1/s1
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13n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50494112
PNG
(CHEMBL2441475)
Show SMILES CCCCCn1c2ccc(cc2c2ccc(OC)cc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C24H30N2O2/c1-3-4-6-15-26-22-12-9-18(24(27)25-13-7-5-8-14-25)16-21(22)20-11-10-19(28-2)17-23(20)26/h9-12,16-17H,3-8,13-15H2,1-2H3
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13n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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13n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50494086
PNG
(CHEMBL2441467)
Show SMILES O=C(N1CCCCC1)c1ccc2n(CC3CCOCC3)c3ccccc3c2c1
Show InChI InChI=1S/C24H28N2O2/c27-24(25-12-4-1-5-13-25)19-8-9-23-21(16-19)20-6-2-3-7-22(20)26(23)17-18-10-14-28-15-11-18/h2-3,6-9,16,18H,1,4-5,10-15,17H2
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20n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50494086
PNG
(CHEMBL2441467)
Show SMILES O=C(N1CCCCC1)c1ccc2n(CC3CCOCC3)c3ccccc3c2c1
Show InChI InChI=1S/C24H28N2O2/c27-24(25-12-4-1-5-13-25)19-8-9-23-21(16-19)20-6-2-3-7-22(20)26(23)17-18-10-14-28-15-11-18/h2-3,6-9,16,18H,1,4-5,10-15,17H2
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20n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491864
PNG
(CHEMBL2387212)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C59H79N11O10/c1-37(2)52(58(79)63-35-49(61)72)68-59(80)53(38(3)4)67-56(77)47(65-57(78)48(34-41-17-11-7-12-18-41)66-54(75)39(5)64-55(76)46(60)33-42-21-23-45(71)24-22-42)25-26-50(73)62-36-51(74)70(43-19-13-8-14-20-43)44-28-31-69(32-29-44)30-27-40-15-9-6-10-16-40/h6-24,37-39,44,46-48,52-53,71H,25-36,60H2,1-5H3,(H2,61,72)(H,62,73)(H,63,79)(H,64,76)(H,65,78)(H,66,75)(H,67,77)(H,68,80)/t39-,46+,47+,48+,52+,53+/m1/s1
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24n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50494092
PNG
(CHEMBL2441452)
Show SMILES CCCCCn1c2ccccc2c2cc(ncc12)C(=O)NCC(C)(C)C
Show InChI InChI=1S/C22H29N3O/c1-5-6-9-12-25-19-11-8-7-10-16(19)17-13-18(23-14-20(17)25)21(26)24-15-22(2,3)4/h7-8,10-11,13-14H,5-6,9,12,15H2,1-4H3,(H,24,26)
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27n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491861
PNG
(CHEMBL2387341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C50H64N8O7/c1-34(2)29-43(49(64)53-33-46(61)58(39-17-11-6-12-18-39)40-24-27-57(28-25-40)26-23-36-13-7-4-8-14-36)56-50(65)44(31-37-15-9-5-10-16-37)55-45(60)32-52-47(62)35(3)54-48(63)42(51)30-38-19-21-41(59)22-20-38/h4-22,34-35,40,42-44,59H,23-33,51H2,1-3H3,(H,52,62)(H,53,64)(H,54,63)(H,55,60)(H,56,65)/t35-,42+,43+,44+/m1/s1
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27n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50494106
PNG
(CHEMBL2441450)
Show SMILES CCCCCn1c2ccccc2c2cc(ncc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H27N3O/c1-2-3-7-14-25-20-11-6-5-10-17(20)18-15-19(23-16-21(18)25)22(26)24-12-8-4-9-13-24/h5-6,10-11,15-16H,2-4,7-9,12-14H2,1H3
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35n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50494098
PNG
(CHEMBL2441256)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H29N3O/c1-3-4-7-12-26-21-9-6-5-8-19(21)20-17-18(10-11-22(20)26)23(27)25-15-13-24(2)14-16-25/h5-6,8-11,17H,3-4,7,12-16H2,1-2H3
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35n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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36n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50494094
PNG
(CHEMBL2441445)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=S)N1CCCCC1
Show InChI InChI=1S/C23H28N2S/c1-2-3-7-16-25-21-11-6-5-10-19(21)20-17-18(12-13-22(20)25)23(26)24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3
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41n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50494092
PNG
(CHEMBL2441452)
Show SMILES CCCCCn1c2ccccc2c2cc(ncc12)C(=O)NCC(C)(C)C
Show InChI InChI=1S/C22H29N3O/c1-5-6-9-12-25-19-11-8-7-10-16(19)17-13-18(23-14-20(17)25)21(26)24-15-22(2,3)4/h7-8,10-11,13-14H,5-6,9,12,15H2,1-4H3,(H,24,26)
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44n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50494094
PNG
(CHEMBL2441445)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=S)N1CCCCC1
Show InChI InChI=1S/C23H28N2S/c1-2-3-7-16-25-21-11-6-5-10-19(21)20-17-18(12-13-22(20)25)23(26)24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3
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50n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50494100
PNG
(CHEMBL2441252)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N(CC)CC
Show InChI InChI=1S/C22H28N2O/c1-4-7-10-15-24-20-12-9-8-11-18(20)19-16-17(13-14-21(19)24)22(25)23(5-2)6-3/h8-9,11-14,16H,4-7,10,15H2,1-3H3
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52n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50494118
PNG
(CHEMBL2441255)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H26N2O2/c1-2-3-6-11-24-20-8-5-4-7-18(20)19-16-17(9-10-21(19)24)22(25)23-12-14-26-15-13-23/h4-5,7-10,16H,2-3,6,11-15H2,1H3
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60n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
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