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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50031414   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299565
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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 0.220n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312859
PNG
((S,3S,3'S)-N,N'-(hex-3-ene-1,6-diyl)bis(2-((S)-2-a...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC\C=C\CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C48H58N6O6/c1-29-19-37(55)20-30(2)39(29)25-41(49)47(59)53-27-35-15-9-7-13-33(35)23-43(53)45(57)51-17-11-5-6-12-18-52-46(58)44-24-34-14-8-10-16-36(34)28-54(44)48(60)42(50)26-40-31(3)21-38(56)22-32(40)4/h5-10,13-16,19-22,41-44,55-56H,11-12,17-18,23-28,49-50H2,1-4H3,(H,51,57)(H,52,58)/b6-5+/t41-,42-,43-,44-/m0/s1
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 0.240n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312854
PNG
((S,3S,3'S)-N,N'-(ethane-1,2-diyl)bis(2-((S)-2-amin...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C44H52N6O6/c1-25-15-33(51)16-26(2)35(25)21-37(45)43(55)49-23-31-11-7-5-9-29(31)19-39(49)41(53)47-13-14-48-42(54)40-20-30-10-6-8-12-32(30)24-50(40)44(56)38(46)22-36-27(3)17-34(52)18-28(36)4/h5-12,15-18,37-40,51-52H,13-14,19-24,45-46H2,1-4H3,(H,47,53)(H,48,54)/t37-,38-,39-,40-/m0/s1
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 0.960n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312859
PNG
((S,3S,3'S)-N,N'-(hex-3-ene-1,6-diyl)bis(2-((S)-2-a...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC\C=C\CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C48H58N6O6/c1-29-19-37(55)20-30(2)39(29)25-41(49)47(59)53-27-35-15-9-7-13-33(35)23-43(53)45(57)51-17-11-5-6-12-18-52-46(58)44-24-34-14-8-10-16-36(34)28-54(44)48(60)42(50)26-40-31(3)21-38(56)22-32(40)4/h5-10,13-16,19-22,41-44,55-56H,11-12,17-18,23-28,49-50H2,1-4H3,(H,51,57)(H,52,58)/b6-5+/t41-,42-,43-,44-/m0/s1
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 1.5n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299565
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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 3.30n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312860
PNG
((S,S,3S,3'S,3''S)-N,N',N''-(2,2',2''-nitrilotris(e...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN(CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C69H84N10O9/c1-40-25-52(80)26-41(2)55(40)34-58(70)67(86)77-37-49-16-10-7-13-46(49)31-61(77)64(83)73-19-22-76(23-20-74-65(84)62-32-47-14-8-11-17-50(47)38-78(62)68(87)59(71)35-56-42(3)27-53(81)28-43(56)4)24-21-75-66(85)63-33-48-15-9-12-18-51(48)39-79(63)69(88)60(72)36-57-44(5)29-54(82)30-45(57)6/h7-18,25-30,58-63,80-82H,19-24,31-39,70-72H2,1-6H3,(H,73,83)(H,74,84)(H,75,85)/t58-,59-,60-,61-,62-,63-/m0/s1
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 3.80n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312860
PNG
((S,S,3S,3'S,3''S)-N,N',N''-(2,2',2''-nitrilotris(e...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN(CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C69H84N10O9/c1-40-25-52(80)26-41(2)55(40)34-58(70)67(86)77-37-49-16-10-7-13-46(49)31-61(77)64(83)73-19-22-76(23-20-74-65(84)62-32-47-14-8-11-17-50(47)38-78(62)68(87)59(71)35-56-42(3)27-53(81)28-43(56)4)24-21-75-66(85)63-33-48-15-9-12-18-51(48)39-79(63)69(88)60(72)36-57-44(5)29-54(82)30-45(57)6/h7-18,25-30,58-63,80-82H,19-24,31-39,70-72H2,1-6H3,(H,73,83)(H,74,84)(H,75,85)/t58-,59-,60-,61-,62-,63-/m0/s1
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 7.80n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312861
PNG
((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCN(CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
Show InChI InChI=1S/C75H93N13O12/c1-43-25-55(89)26-44(2)58(43)34-61(76)70(95)82-64-31-49-13-7-10-16-52(49)37-86(73(64)98)40-67(92)79-19-22-85(23-20-80-68(93)41-87-38-53-17-11-8-14-50(53)32-65(74(87)99)83-71(96)62(77)35-59-45(3)27-56(90)28-46(59)4)24-21-81-69(94)42-88-39-54-18-12-9-15-51(54)33-66(75(88)100)84-72(97)63(78)36-60-47(5)29-57(91)30-48(60)6/h7-18,25-30,61-66,89-91H,19-24,31-42,76-78H2,1-6H3,(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)/t61-,62-,63-,64-,65-,66-/m0/s1
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 8.10n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312854
PNG
((S,3S,3'S)-N,N'-(ethane-1,2-diyl)bis(2-((S)-2-amin...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C44H52N6O6/c1-25-15-33(51)16-26(2)35(25)21-37(45)43(55)49-23-31-11-7-5-9-29(31)19-39(49)41(53)47-13-14-48-42(54)40-20-30-10-6-8-12-32(30)24-50(40)44(56)38(46)22-36-27(3)17-34(52)18-28(36)4/h5-12,15-18,37-40,51-52H,13-14,19-24,45-46H2,1-4H3,(H,47,53)(H,48,54)/t37-,38-,39-,40-/m0/s1
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 10n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312855
PNG
((2S,2'S)-N,N'-((4S,4'S)-2,2'-(2,2'-(ethane-1,2-diy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
Show InChI InChI=1S/C48H58N8O8/c1-27-15-35(57)16-28(2)37(27)21-39(49)45(61)53-41-19-31-9-5-7-11-33(31)23-55(47(41)63)25-43(59)51-13-14-52-44(60)26-56-24-34-12-8-6-10-32(34)20-42(48(56)64)54-46(62)40(50)22-38-29(3)17-36(58)18-30(38)4/h5-12,15-18,39-42,57-58H,13-14,19-26,49-50H2,1-4H3,(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t39-,40-,41-,42-/m0/s1
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 16n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312857
PNG
((2S,2'S)-N,N'-((4S,4'S)-2,2'-(2,2'-(ethane-1,2-diy...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2c(CN(CC(=O)NCCNC(=O)CN3Cc4[nH]c5ccccc5c4C[C@H](NC(=O)[C@H](Cc4c(C)cc(O)cc4C)N(C)C)C3=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C56H68N10O8/c1-31-19-35(67)20-32(2)39(31)25-49(63(5)6)53(71)61-45-23-41-37-13-9-11-15-43(37)59-47(41)27-65(55(45)73)29-51(69)57-17-18-58-52(70)30-66-28-48-42(38-14-10-12-16-44(38)60-48)24-46(56(66)74)62-54(72)50(64(7)8)26-40-33(3)21-36(68)22-34(40)4/h9-16,19-22,45-46,49-50,59-60,67-68H,17-18,23-30H2,1-8H3,(H,57,69)(H,58,70)(H,61,71)(H,62,72)/t45-,46-,49-,50-/m0/s1
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 101n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312856
PNG
((2S,2'S)-N,N'-((4R,4'R)-2,2'-(2,2'-(ethane-1,2-diy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCCNC(=O)CN3Cc4[nH]c5ccccc5c4C[C@@H](NC(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C3=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C52H60N10O8/c1-27-15-31(63)16-28(2)35(27)19-39(53)49(67)59-43-21-37-33-9-5-7-11-41(33)57-45(37)23-61(51(43)69)25-47(65)55-13-14-56-48(66)26-62-24-46-38(34-10-6-8-12-42(34)58-46)22-44(52(62)70)60-50(68)40(54)20-36-29(3)17-32(64)18-30(36)4/h5-12,15-18,39-40,43-44,57-58,63-64H,13-14,19-26,53-54H2,1-4H3,(H,55,65)(H,56,66)(H,59,67)(H,60,68)/t39-,40-,43+,44+/m0/s1
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 139n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312855
PNG
((2S,2'S)-N,N'-((4S,4'S)-2,2'-(2,2'-(ethane-1,2-diy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
Show InChI InChI=1S/C48H58N8O8/c1-27-15-35(57)16-28(2)37(27)21-39(49)45(61)53-41-19-31-9-5-7-11-33(31)23-55(47(41)63)25-43(59)51-13-14-52-44(60)26-56-24-34-12-8-6-10-32(34)20-42(48(56)64)54-46(62)40(50)22-38-29(3)17-36(58)18-30(38)4/h5-12,15-18,39-42,57-58H,13-14,19-26,49-50H2,1-4H3,(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t39-,40-,41-,42-/m0/s1
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 154n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312858
PNG
((2S,2'S)-N,N'-((4R,4'R)-2,2'-(2,2'-(1,4-phenyleneb...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccc(CNC(=O)CN4Cc5[nH]c6ccccc6c5C[C@@H](NC(=O)[C@@H](N)Cc5c(C)cc(O)cc5C)C4=O)cc3)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C58H64N10O8/c1-31-17-37(69)18-32(2)41(31)21-45(59)55(73)65-49-23-43-39-9-5-7-11-47(39)63-51(43)27-67(57(49)75)29-53(71)61-25-35-13-15-36(16-14-35)26-62-54(72)30-68-28-52-44(40-10-6-8-12-48(40)64-52)24-50(58(68)76)66-56(74)46(60)22-42-33(3)19-38(70)20-34(42)4/h5-20,45-46,49-50,63-64,69-70H,21-30,59-60H2,1-4H3,(H,61,71)(H,62,72)(H,65,73)(H,66,74)/t45-,46-,49+,50+/m0/s1
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 177n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312861
PNG
((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCN(CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
Show InChI InChI=1S/C75H93N13O12/c1-43-25-55(89)26-44(2)58(43)34-61(76)70(95)82-64-31-49-13-7-10-16-52(49)37-86(73(64)98)40-67(92)79-19-22-85(23-20-80-68(93)41-87-38-53-17-11-8-14-50(53)32-65(74(87)99)83-71(96)62(77)35-59-45(3)27-56(90)28-46(59)4)24-21-81-69(94)42-88-39-54-18-12-9-15-51(54)33-66(75(88)100)84-72(97)63(78)36-60-47(5)29-57(91)30-48(60)6/h7-18,25-30,61-66,89-91H,19-24,31-42,76-78H2,1-6H3,(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)/t61-,62-,63-,64-,65-,66-/m0/s1
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 196n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312856
PNG
((2S,2'S)-N,N'-((4R,4'R)-2,2'-(2,2'-(ethane-1,2-diy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCCNC(=O)CN3Cc4[nH]c5ccccc5c4C[C@@H](NC(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C3=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C52H60N10O8/c1-27-15-31(63)16-28(2)35(27)19-39(53)49(67)59-43-21-37-33-9-5-7-11-41(33)57-45(37)23-61(51(43)69)25-47(65)55-13-14-56-48(66)26-62-24-46-38(34-10-6-8-12-42(34)58-46)22-44(52(62)70)60-50(68)40(54)20-36-29(3)17-32(64)18-30(36)4/h5-12,15-18,39-40,43-44,57-58,63-64H,13-14,19-26,53-54H2,1-4H3,(H,55,65)(H,56,66)(H,59,67)(H,60,68)/t39-,40-,43+,44+/m0/s1
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 211n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312857
PNG
((2S,2'S)-N,N'-((4S,4'S)-2,2'-(2,2'-(ethane-1,2-diy...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2c(CN(CC(=O)NCCNC(=O)CN3Cc4[nH]c5ccccc5c4C[C@H](NC(=O)[C@H](Cc4c(C)cc(O)cc4C)N(C)C)C3=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C56H68N10O8/c1-31-19-35(67)20-32(2)39(31)25-49(63(5)6)53(71)61-45-23-41-37-13-9-11-15-43(37)59-47(41)27-65(55(45)73)29-51(69)57-17-18-58-52(70)30-66-28-48-42(38-14-10-12-16-44(38)60-48)24-46(56(66)74)62-54(72)50(64(7)8)26-40-33(3)21-36(68)22-34(40)4/h9-16,19-22,45-46,49-50,59-60,67-68H,17-18,23-30H2,1-8H3,(H,57,69)(H,58,70)(H,61,71)(H,62,72)/t45-,46-,49-,50-/m0/s1
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 344n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50312858
PNG
((2S,2'S)-N,N'-((4R,4'R)-2,2'-(2,2'-(1,4-phenyleneb...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccc(CNC(=O)CN4Cc5[nH]c6ccccc6c5C[C@@H](NC(=O)[C@@H](N)Cc5c(C)cc(O)cc5C)C4=O)cc3)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C58H64N10O8/c1-31-17-37(69)18-32(2)41(31)21-45(59)55(73)65-49-23-43-39-9-5-7-11-47(39)63-51(43)27-67(57(49)75)29-53(71)61-25-35-13-15-36(16-14-35)26-62-54(72)30-68-28-52-44(40-10-6-8-12-48(40)64-52)24-50(58(68)76)66-56(74)46(60)22-42-33(3)19-38(70)20-34(42)4/h5-20,45-46,49-50,63-64,69-70H,21-30,59-60H2,1-4H3,(H,61,71)(H,62,72)(H,65,73)(H,66,74)/t45-,46-,49+,50+/m0/s1
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 361n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50312859
PNG
((S,3S,3'S)-N,N'-(hex-3-ene-1,6-diyl)bis(2-((S)-2-a...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC\C=C\CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C48H58N6O6/c1-29-19-37(55)20-30(2)39(29)25-41(49)47(59)53-27-35-15-9-7-13-33(35)23-43(53)45(57)51-17-11-5-6-12-18-52-46(58)44-24-34-14-8-10-16-36(34)28-54(44)48(60)42(50)26-40-31(3)21-38(56)22-32(40)4/h5-10,13-16,19-22,41-44,55-56H,11-12,17-18,23-28,49-50H2,1-4H3,(H,51,57)(H,52,58)/b6-5+/t41-,42-,43-,44-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at mu opioid receptor in guinea pig ileum

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50312860
PNG
((S,S,3S,3'S,3''S)-N,N',N''-(2,2',2''-nitrilotris(e...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN(CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C69H84N10O9/c1-40-25-52(80)26-41(2)55(40)34-58(70)67(86)77-37-49-16-10-7-13-46(49)31-61(77)64(83)73-19-22-76(23-20-74-65(84)62-32-47-14-8-11-17-50(47)38-78(62)68(87)59(71)35-56-42(3)27-53(81)28-43(56)4)24-21-75-66(85)63-33-48-15-9-12-18-51(48)39-79(63)69(88)60(72)36-57-44(5)29-54(82)30-45(57)6/h7-18,25-30,58-63,80-82H,19-24,31-39,70-72H2,1-6H3,(H,73,83)(H,74,84)(H,75,85)/t58-,59-,60-,61-,62-,63-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at mu opioid receptor in guinea pig ileum

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50312855
PNG
((2S,2'S)-N,N'-((4S,4'S)-2,2'-(2,2'-(ethane-1,2-diy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
Show InChI InChI=1S/C48H58N8O8/c1-27-15-35(57)16-28(2)37(27)21-39(49)45(61)53-41-19-31-9-5-7-11-33(31)23-55(47(41)63)25-43(59)51-13-14-52-44(60)26-56-24-34-12-8-6-10-32(34)20-42(48(56)64)54-46(62)40(50)22-38-29(3)17-36(58)18-30(38)4/h5-12,15-18,39-42,57-58H,13-14,19-26,49-50H2,1-4H3,(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t39-,40-,41-,42-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at mu opioid receptor in guinea pig ileum

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50312854
PNG
((S,3S,3'S)-N,N'-(ethane-1,2-diyl)bis(2-((S)-2-amin...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C44H52N6O6/c1-25-15-33(51)16-26(2)35(25)21-37(45)43(55)49-23-31-11-7-5-9-29(31)19-39(49)41(53)47-13-14-48-42(54)40-20-30-10-6-8-12-32(30)24-50(40)44(56)38(46)22-36-27(3)17-34(52)18-28(36)4/h5-12,15-18,37-40,51-52H,13-14,19-24,45-46H2,1-4H3,(H,47,53)(H,48,54)/t37-,38-,39-,40-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at mu opioid receptor in guinea pig ileum

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50312861
PNG
((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCN(CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
Show InChI InChI=1S/C75H93N13O12/c1-43-25-55(89)26-44(2)58(43)34-61(76)70(95)82-64-31-49-13-7-10-16-52(49)37-86(73(64)98)40-67(92)79-19-22-85(23-20-80-68(93)41-87-38-53-17-11-8-14-50(53)32-65(74(87)99)83-71(96)62(77)35-59-45(3)27-56(90)28-46(59)4)24-21-81-69(94)42-88-39-54-18-12-9-15-51(54)33-66(75(88)100)84-72(97)63(78)36-60-47(5)29-57(91)30-48(60)6/h7-18,25-30,61-66,89-91H,19-24,31-42,76-78H2,1-6H3,(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)/t61-,62-,63-,64-,65-,66-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor in mouse vas deferens

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50312860
PNG
((S,S,3S,3'S,3''S)-N,N',N''-(2,2',2''-nitrilotris(e...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN(CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C69H84N10O9/c1-40-25-52(80)26-41(2)55(40)34-58(70)67(86)77-37-49-16-10-7-13-46(49)31-61(77)64(83)73-19-22-76(23-20-74-65(84)62-32-47-14-8-11-17-50(47)38-78(62)68(87)59(71)35-56-42(3)27-53(81)28-43(56)4)24-21-75-66(85)63-33-48-15-9-12-18-51(48)39-79(63)69(88)60(72)36-57-44(5)29-54(82)30-45(57)6/h7-18,25-30,58-63,80-82H,19-24,31-39,70-72H2,1-6H3,(H,73,83)(H,74,84)(H,75,85)/t58-,59-,60-,61-,62-,63-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor in mouse vas deferens

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50312859
PNG
((S,3S,3'S)-N,N'-(hex-3-ene-1,6-diyl)bis(2-((S)-2-a...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC\C=C\CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C48H58N6O6/c1-29-19-37(55)20-30(2)39(29)25-41(49)47(59)53-27-35-15-9-7-13-33(35)23-43(53)45(57)51-17-11-5-6-12-18-52-46(58)44-24-34-14-8-10-16-36(34)28-54(44)48(60)42(50)26-40-31(3)21-38(56)22-32(40)4/h5-10,13-16,19-22,41-44,55-56H,11-12,17-18,23-28,49-50H2,1-4H3,(H,51,57)(H,52,58)/b6-5+/t41-,42-,43-,44-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor in mouse vas deferens

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50312854
PNG
((S,3S,3'S)-N,N'-(ethane-1,2-diyl)bis(2-((S)-2-amin...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C44H52N6O6/c1-25-15-33(51)16-26(2)35(25)21-37(45)43(55)49-23-31-11-7-5-9-29(31)19-39(49)41(53)47-13-14-48-42(54)40-20-30-10-6-8-12-32(30)24-50(40)44(56)38(46)22-36-27(3)17-34(52)18-28(36)4/h5-12,15-18,37-40,51-52H,13-14,19-24,45-46H2,1-4H3,(H,47,53)(H,48,54)/t37-,38-,39-,40-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor in mouse vas deferens

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50312861
PNG
((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCN(CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
Show InChI InChI=1S/C75H93N13O12/c1-43-25-55(89)26-44(2)58(43)34-61(76)70(95)82-64-31-49-13-7-10-16-52(49)37-86(73(64)98)40-67(92)79-19-22-85(23-20-80-68(93)41-87-38-53-17-11-8-14-50(53)32-65(74(87)99)83-71(96)62(77)35-59-45(3)27-56(90)28-46(59)4)24-21-81-69(94)42-88-39-54-18-12-9-15-51(54)33-66(75(88)100)84-72(97)63(78)36-60-47(5)29-57(91)30-48(60)6/h7-18,25-30,61-66,89-91H,19-24,31-42,76-78H2,1-6H3,(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)/t61-,62-,63-,64-,65-,66-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at mu opioid receptor in guinea pig ileum

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50312855
PNG
((2S,2'S)-N,N'-((4S,4'S)-2,2'-(2,2'-(ethane-1,2-diy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
Show InChI InChI=1S/C48H58N8O8/c1-27-15-35(57)16-28(2)37(27)21-39(49)45(61)53-41-19-31-9-5-7-11-33(31)23-55(47(41)63)25-43(59)51-13-14-52-44(60)26-56-24-34-12-8-6-10-32(34)20-42(48(56)64)54-46(62)40(50)22-38-29(3)17-36(58)18-30(38)4/h5-12,15-18,39-42,57-58H,13-14,19-26,49-50H2,1-4H3,(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t39-,40-,41-,42-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor in mouse vas deferens

Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair