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PubMed code 18800771

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50252860
PNG
((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C66H109N21O12/c1-8-38(4)54(62(98)84-48(23-16-28-77-66(73)74)63(99)87-29-17-24-51(87)61(97)81-45(55(68)91)20-12-13-25-67)86-58(94)47(22-15-27-76-65(71)72)82-57(93)46(21-14-26-75-64(69)70)83-59(95)49(30-37(2)3)85-60(96)50(34-42-18-10-9-11-19-42)80-53(90)36-78-52(89)35-79-56(92)41(7)33-44-39(5)31-43(88)32-40(44)6/h9-11,18-19,31-32,37-38,41,45-51,54,88H,8,12-17,20-30,33-36,67H2,1-7H3,(H2,68,91)(H,78,89)(H,79,92)(H,80,90)(H,81,97)(H,82,93)(H,83,95)(H,84,98)(H,85,96)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t38-,41-,45-,46-,47-,48-,49-,50-,51-,54-/s2
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0.823n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252855
PNG
((4S,7S,13S)-13-[(S)-3-(4-Carbamoyl-2,6-dimethyl-ph...)
Show SMILES C[C@@H](Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1/C30H37N7O8S2/c1-15-8-19(26(31)39)9-16(2)21(15)10-17(3)28(41)36-24-14-47-46-13-23(27(32)40)35-30(43)22(34-25(38)12-33-29(24)42)11-18-4-6-20(7-5-18)37(44)45/h4-9,17,22-24H,10-14H2,1-3H3,(H2,31,39)(H2,32,40)(H,33,42)(H,34,38)(H,35,43)(H,36,41)/t17-,22-,23+,24+/s2
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1.02n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50252864
PNG
(CHEMBL454035 | antanal 2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1/C38H43N5O5/c1-23-17-29(44)18-24(2)30(23)22-31(39)38(48)43-16-8-13-34(43)37(47)42-33(20-25-9-4-3-5-10-25)36(46)41-32(35(40)45)21-26-14-15-27-11-6-7-12-28(27)19-26/h3-7,9-12,14-15,17-19,31-34,44H,8,13,16,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32+,33-,34+/s2
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1.52n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity against mu opioid receptor in guinea pig ileum assessed as effect on TAPP-induced response


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252856
PNG
((4S,7S,13S)-13-[(S)-3-(4-Hydroxy-2,6-dimethyl-phen...)
Show SMILES C[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1/C29H36N6O8S2/c1-15-8-20(36)9-16(2)21(15)10-17(3)27(39)34-24-14-45-44-13-23(26(30)38)33-29(41)22(32-25(37)12-31-28(24)40)11-18-4-6-19(7-5-18)35(42)43/h4-9,17,22-24,36H,10-14H2,1-3H3,(H2,30,38)(H,31,40)(H,32,37)(H,33,41)(H,34,39)/t17-,22-,23+,24+/s2
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2.23n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50252858
PNG
((S)-2-({(4R,7S,13S)-7-(4-Fluoro-benzyl)-13-[(S)-3-...)
Show SMILES C[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1/C42H52FN5O8S2/c1-23-17-29(49)18-24(2)30(23)19-25(3)36(51)47-34-38(53)44-22-33(50)45-31(20-27-13-15-28(43)16-14-27)37(52)48-35(42(6,7)58-57-41(34,4)5)39(54)46-32(40(55)56)21-26-11-9-8-10-12-26/h8-18,25,31-32,34-35,49H,19-22H2,1-7H3,(H,44,53)(H,45,50)(H,46,54)(H,47,51)(H,48,52)(H,55,56)/t25-,31-,32-,34-,35+/s2
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2.32n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50252863
PNG
(CHEMBL507442 | antanal 1)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1/C40H44N6O5/c1-23-16-29(47)17-24(2)31(23)21-32(41)40(51)46-15-7-12-36(46)39(50)45-35(20-28-22-43-33-11-6-5-10-30(28)33)38(49)44-34(37(42)48)19-25-13-14-26-8-3-4-9-27(26)18-25/h3-6,8-11,13-14,16-18,22,32,34-36,43,47H,7,12,15,19-21,41H2,1-2H3,(H2,42,48)(H,44,49)(H,45,50)/t32-,34+,35-,36+/s2
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2.38n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity against mu opioid receptor in guinea pig ileum assessed as effect on TAPP-induced response


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50252857
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-3-(4-Carbamoyl-2,6-dim...)
Show SMILES C[C@@H](Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1/C43H53FN6O8S2/c1-23-17-28(36(45)52)18-24(2)30(23)19-25(3)37(53)49-34-39(55)46-22-33(51)47-31(20-27-13-15-29(44)16-14-27)38(54)50-35(43(6,7)60-59-42(34,4)5)40(56)48-32(41(57)58)21-26-11-9-8-10-12-26/h8-18,25,31-32,34-35H,19-22H2,1-7H3,(H2,45,52)(H,46,55)(H,47,51)(H,48,56)(H,49,53)(H,50,54)(H,57,58)/t25-,31-,32-,34-,35+/s2
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2.92n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50252856
PNG
((4S,7S,13S)-13-[(S)-3-(4-Hydroxy-2,6-dimethyl-phen...)
Show SMILES C[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1/C29H36N6O8S2/c1-15-8-20(36)9-16(2)21(15)10-17(3)27(39)34-24-14-45-44-13-23(26(30)38)33-29(41)22(32-25(37)12-31-28(24)40)11-18-4-6-19(7-5-18)35(42)43/h4-9,17,22-24,36H,10-14H2,1-3H3,(H2,30,38)(H,31,40)(H,32,37)(H,33,41)(H,34,39)/t17-,22-,23+,24+/s2
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3.61n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50252864
PNG
(CHEMBL454035 | antanal 2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1/C38H43N5O5/c1-23-17-29(44)18-24(2)30(23)22-31(39)38(48)43-16-8-13-34(43)37(47)42-33(20-25-9-4-3-5-10-25)36(46)41-32(35(40)45)21-26-14-15-27-11-6-7-12-28(27)19-26/h3-7,9-12,14-15,17-19,31-34,44H,8,13,16,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32+,33-,34+/s2
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7.74n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity against delta opioid receptor in mouse vas deference assessed as effect on DPDPE-induced response


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50252862
PNG
((5S,8S,14R)-8-Benzyl-14-[(S)-2-[3-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)NC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1/C41H51N7O10/c1-24-18-29(50)19-25(2)30(24)15-16-35(51)45-32(21-27-11-13-28(49)14-12-27)38(54)47-31-10-6-7-17-42-41(58)44-22-34(40(56)57)48-39(55)33(20-26-8-4-3-5-9-26)46-36(52)23-43-37(31)53/h3-5,8-9,11-14,18-19,31-34,49-50H,6-7,10,15-17,20-23H2,1-2H3,(H,43,53)(H,45,51)(H,46,52)(H,47,54)(H,48,55)(H,56,57)(H2,42,44,58)/t31-,32+,33+,34+/s2
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15.5n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity against mu opioid receptor in guinea pig ileum assessed as effect on TAPP-induced response


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50252863
PNG
(CHEMBL507442 | antanal 1)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1/C40H44N6O5/c1-23-16-29(47)17-24(2)31(23)21-32(41)40(51)46-15-7-12-36(46)39(50)45-35(20-28-22-43-33-11-6-5-10-30(28)33)38(49)44-34(37(42)48)19-25-13-14-26-8-3-4-9-27(26)18-25/h3-6,8-11,13-14,16-18,22,32,34-36,43,47H,7,12,15,19-21,41H2,1-2H3,(H2,42,48)(H,44,49)(H,45,50)/t32-,34+,35-,36+/s2
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17.4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity against delta opioid receptor in mouse vas deference assessed as effect on DPDPE-induced response


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50252855
PNG
((4S,7S,13S)-13-[(S)-3-(4-Carbamoyl-2,6-dimethyl-ph...)
Show SMILES C[C@@H](Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1/C30H37N7O8S2/c1-15-8-19(26(31)39)9-16(2)21(15)10-17(3)28(41)36-24-14-47-46-13-23(27(32)40)35-30(43)22(34-25(38)12-33-29(24)42)11-18-4-6-20(7-5-18)37(44)45/h4-9,17,22-24H,10-14H2,1-3H3,(H2,31,39)(H2,32,40)(H,33,42)(H,34,38)(H,35,43)(H,36,41)/t17-,22-,23+,24+/s2
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19n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50252859
PNG
((S)-1-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-2-((S)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C67H110N22O12/c1-8-38(4)54(63(100)86-48(23-16-28-79-67(75)76)64(101)89-29-17-24-51(89)62(99)83-45(56(70)93)20-12-13-25-68)88-59(96)47(22-15-27-78-66(73)74)84-58(95)46(21-14-26-77-65(71)72)85-60(97)49(30-37(2)3)87-61(98)50(34-42-18-10-9-11-19-42)82-53(91)36-80-52(90)35-81-57(94)41(7)33-44-39(5)31-43(55(69)92)32-40(44)6/h9-11,18-19,31-32,37-38,41,45-51,54H,8,12-17,20-30,33-36,68H2,1-7H3,(H2,69,92)(H2,70,93)(H,80,90)(H,81,94)(H,82,91)(H,83,99)(H,84,95)(H,85,97)(H,86,100)(H,87,98)(H,88,96)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t38-,41-,45-,46-,47-,48-,49-,50-,51-,54-/s2
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26n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50252859
PNG
((S)-1-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-2-((S)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C67H110N22O12/c1-8-38(4)54(63(100)86-48(23-16-28-79-67(75)76)64(101)89-29-17-24-51(89)62(99)83-45(56(70)93)20-12-13-25-68)88-59(96)47(22-15-27-78-66(73)74)84-58(95)46(21-14-26-77-65(71)72)85-60(97)49(30-37(2)3)87-61(98)50(34-42-18-10-9-11-19-42)82-53(91)36-80-52(90)35-81-57(94)41(7)33-44-39(5)31-43(55(69)92)32-40(44)6/h9-11,18-19,31-32,37-38,41,45-51,54H,8,12-17,20-30,33-36,68H2,1-7H3,(H2,69,92)(H2,70,93)(H,80,90)(H,81,94)(H,82,91)(H,83,99)(H,84,95)(H,85,97)(H,86,100)(H,87,98)(H,88,96)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t38-,41-,45-,46-,47-,48-,49-,50-,51-,54-/s2
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27.2n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252859
PNG
((S)-1-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-2-((S)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C67H110N22O12/c1-8-38(4)54(63(100)86-48(23-16-28-79-67(75)76)64(101)89-29-17-24-51(89)62(99)83-45(56(70)93)20-12-13-25-68)88-59(96)47(22-15-27-78-66(73)74)84-58(95)46(21-14-26-77-65(71)72)85-60(97)49(30-37(2)3)87-61(98)50(34-42-18-10-9-11-19-42)82-53(91)36-80-52(90)35-81-57(94)41(7)33-44-39(5)31-43(55(69)92)32-40(44)6/h9-11,18-19,31-32,37-38,41,45-51,54H,8,12-17,20-30,33-36,68H2,1-7H3,(H2,69,92)(H2,70,93)(H,80,90)(H,81,94)(H,82,91)(H,83,99)(H,84,95)(H,85,97)(H,86,100)(H,87,98)(H,88,96)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t38-,41-,45-,46-,47-,48-,49-,50-,51-,54-/s2
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29.6n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50252856
PNG
((4S,7S,13S)-13-[(S)-3-(4-Hydroxy-2,6-dimethyl-phen...)
Show SMILES C[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1/C29H36N6O8S2/c1-15-8-20(36)9-16(2)21(15)10-17(3)27(39)34-24-14-45-44-13-23(26(30)38)33-29(41)22(32-25(37)12-31-28(24)40)11-18-4-6-19(7-5-18)35(42)43/h4-9,17,22-24,36H,10-14H2,1-3H3,(H2,30,38)(H,31,40)(H,32,37)(H,33,41)(H,34,39)/t17-,22-,23+,24+/s2
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92.8n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50252860
PNG
((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C66H109N21O12/c1-8-38(4)54(62(98)84-48(23-16-28-77-66(73)74)63(99)87-29-17-24-51(87)61(97)81-45(55(68)91)20-12-13-25-67)86-58(94)47(22-15-27-76-65(71)72)82-57(93)46(21-14-26-75-64(69)70)83-59(95)49(30-37(2)3)85-60(96)50(34-42-18-10-9-11-19-42)80-53(90)36-78-52(89)35-79-56(92)41(7)33-44-39(5)31-43(88)32-40(44)6/h9-11,18-19,31-32,37-38,41,45-51,54,88H,8,12-17,20-30,33-36,67H2,1-7H3,(H2,68,91)(H,78,89)(H,79,92)(H,80,90)(H,81,97)(H,82,93)(H,83,95)(H,84,98)(H,85,96)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t38-,41-,45-,46-,47-,48-,49-,50-,51-,54-/s2
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163n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50252855
PNG
((4S,7S,13S)-13-[(S)-3-(4-Carbamoyl-2,6-dimethyl-ph...)
Show SMILES C[C@@H](Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1/C30H37N7O8S2/c1-15-8-19(26(31)39)9-16(2)21(15)10-17(3)28(41)36-24-14-47-46-13-23(27(32)40)35-30(43)22(34-25(38)12-33-29(24)42)11-18-4-6-20(7-5-18)37(44)45/h4-9,17,22-24H,10-14H2,1-3H3,(H2,31,39)(H2,32,40)(H,33,42)(H,34,38)(H,35,43)(H,36,41)/t17-,22-,23+,24+/s2
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185n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252860
PNG
((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C66H109N21O12/c1-8-38(4)54(62(98)84-48(23-16-28-77-66(73)74)63(99)87-29-17-24-51(87)61(97)81-45(55(68)91)20-12-13-25-67)86-58(94)47(22-15-27-76-65(71)72)82-57(93)46(21-14-26-75-64(69)70)83-59(95)49(30-37(2)3)85-60(96)50(34-42-18-10-9-11-19-42)80-53(90)36-78-52(89)35-79-56(92)41(7)33-44-39(5)31-43(88)32-40(44)6/h9-11,18-19,31-32,37-38,41,45-51,54,88H,8,12-17,20-30,33-36,67H2,1-7H3,(H2,68,91)(H,78,89)(H,79,92)(H,80,90)(H,81,97)(H,82,93)(H,83,95)(H,84,98)(H,85,96)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t38-,41-,45-,46-,47-,48-,49-,50-,51-,54-/s2
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213n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50252862
PNG
((5S,8S,14R)-8-Benzyl-14-[(S)-2-[3-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)NC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1/C41H51N7O10/c1-24-18-29(50)19-25(2)30(24)15-16-35(51)45-32(21-27-11-13-28(49)14-12-27)38(54)47-31-10-6-7-17-42-41(58)44-22-34(40(56)57)48-39(55)33(20-26-8-4-3-5-9-26)46-36(52)23-43-37(31)53/h3-5,8-9,11-14,18-19,31-34,49-50H,6-7,10,15-17,20-23H2,1-2H3,(H,43,53)(H,45,51)(H,46,52)(H,47,54)(H,48,55)(H,56,57)(H2,42,44,58)/t31-,32+,33+,34+/s2
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273n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity against delta opioid receptor in mouse vas deference assessed as effect on DPDPE-induced response


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252858
PNG
((S)-2-({(4R,7S,13S)-7-(4-Fluoro-benzyl)-13-[(S)-3-...)
Show SMILES C[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1/C42H52FN5O8S2/c1-23-17-29(49)18-24(2)30(23)19-25(3)36(51)47-34-38(53)44-22-33(50)45-31(20-27-13-15-28(43)16-14-27)37(52)48-35(42(6,7)58-57-41(34,4)5)39(54)46-32(40(55)56)21-26-11-9-8-10-12-26/h8-18,25,31-32,34-35,49H,19-22H2,1-7H3,(H,44,53)(H,45,50)(H,46,54)(H,47,51)(H,48,52)(H,55,56)/t25-,31-,32-,34-,35+/s2
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406n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50252857
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-3-(4-Carbamoyl-2,6-dim...)
Show SMILES C[C@@H](Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1/C43H53FN6O8S2/c1-23-17-28(36(45)52)18-24(2)30(23)19-25(3)37(53)49-34-39(55)46-22-33(51)47-31(20-27-13-15-29(44)16-14-27)38(54)50-35(43(6,7)60-59-42(34,4)5)40(56)48-32(41(57)58)21-26-11-9-8-10-12-26/h8-18,25,31-32,34-35H,19-22H2,1-7H3,(H2,45,52)(H,46,55)(H,47,51)(H,48,56)(H,49,53)(H,50,54)(H,57,58)/t25-,31-,32-,34-,35+/s2
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3.65E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50252858
PNG
((S)-2-({(4R,7S,13S)-7-(4-Fluoro-benzyl)-13-[(S)-3-...)
Show SMILES C[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1/C42H52FN5O8S2/c1-23-17-29(49)18-24(2)30(23)19-25(3)36(51)47-34-38(53)44-22-33(50)45-31(20-27-13-15-28(43)16-14-27)37(52)48-35(42(6,7)58-57-41(34,4)5)39(54)46-32(40(55)56)21-26-11-9-8-10-12-26/h8-18,25,31-32,34-35,49H,19-22H2,1-7H3,(H,44,53)(H,45,50)(H,46,54)(H,47,51)(H,48,52)(H,55,56)/t25-,31-,32-,34-,35+/s2
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3.71E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252857
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-3-(4-Carbamoyl-2,6-dim...)
Show SMILES C[C@@H](Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1/C43H53FN6O8S2/c1-23-17-28(36(45)52)18-24(2)30(23)19-25(3)37(53)49-34-39(55)46-22-33(51)47-31(20-27-13-15-29(44)16-14-27)38(54)50-35(43(6,7)60-59-42(34,4)5)40(56)48-32(41(57)58)21-26-11-9-8-10-12-26/h8-18,25,31-32,34-35H,19-22H2,1-7H3,(H2,45,52)(H,46,55)(H,47,51)(H,48,56)(H,49,53)(H,50,54)(H,57,58)/t25-,31-,32-,34-,35+/s2
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5.85E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50252861
PNG
(CHEMBL507214 | H-D-Phe-c[Cys-Tyr-DTrp-Orn-Thr-Pen]...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
Show InChI InChI=1/C50H67N11O11S2/c1-26(62)39(42(53)65)59-49(72)41-50(3,4)74-73-25-38(58-43(66)33(52)21-28-11-6-5-7-12-28)47(70)56-36(22-29-16-18-31(64)19-17-29)45(68)57-37(23-30-24-54-34-14-9-8-13-32(30)34)46(69)55-35(15-10-20-51)44(67)60-40(27(2)63)48(71)61-41/h5-9,11-14,16-19,24,26-27,33,35-41,54,62-64H,10,15,20-23,25,51-52H2,1-4H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)/t26-,27-,33-,35+,36+,37-,38+,39+,40+,41-/s2
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n/an/a 2.80n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity against mu opioid receptor in guinea pig ileum assessed as effect on TAPP-induced response


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50252861
PNG
(CHEMBL507214 | H-D-Phe-c[Cys-Tyr-DTrp-Orn-Thr-Pen]...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
Show InChI InChI=1/C50H67N11O11S2/c1-26(62)39(42(53)65)59-49(72)41-50(3,4)74-73-25-38(58-43(66)33(52)21-28-11-6-5-7-12-28)47(70)56-36(22-29-16-18-31(64)19-17-29)45(68)57-37(23-30-24-54-34-14-9-8-13-32(30)34)46(69)55-35(15-10-20-51)44(67)60-40(27(2)63)48(71)61-41/h5-9,11-14,16-19,24,26-27,33,35-41,54,62-64H,10,15,20-23,25,51-52H2,1-4H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)/t26-,27-,33-,35+,36+,37-,38+,39+,40+,41-/s2
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Article
PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity against delta opioid receptor in mouse vas deference assessed as effect on DPDPE-induced response


J Med Chem 51: 5866-70 (2008)


Article DOI: 10.1021/jm8004702
BindingDB Entry DOI: 10.7270/Q20G3K0M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%