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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50014148   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138775
PNG
(CHEMBL428669 | cyclo[D-Asp2,Dap5]Dyn A-(1-13)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C74H122N26O15/c1-5-42(4)59(70(114)95-51(23-15-33-87-74(83)84)71(115)100-34-16-24-56(100)69(113)94-48(20-10-12-30-76)64(108)97-52(35-41(2)3)66(110)91-47(60(78)104)19-9-11-29-75)99-65(109)50(22-14-32-86-73(81)82)92-63(107)49(21-13-31-85-72(79)80)93-68(112)55-39-88-57(102)38-54(96-61(105)46(77)36-44-25-27-45(101)28-26-44)62(106)89-40-58(103)90-53(67(111)98-55)37-43-17-7-6-8-18-43/h6-8,17-18,25-28,41-42,46-56,59,101H,5,9-16,19-24,29-40,75-77H2,1-4H3,(H2,78,104)(H,88,102)(H,89,106)(H,90,103)(H,91,110)(H,92,107)(H,93,112)(H,94,113)(H,95,114)(H,96,105)(H,97,108)(H,98,111)(H,99,109)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t42-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56-,59-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138768
PNG
(CHEMBL438781 | Linear [D-Asp2,Dap5]Dyn A-(1-13)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=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(N)=O
Show InChI InChI=1S/C74H124N26O16/c1-5-42(4)59(70(115)95-51(23-15-33-88-74(84)85)71(116)100-34-16-24-56(100)69(114)94-48(20-10-12-30-76)64(109)97-52(35-41(2)3)66(111)91-47(60(79)105)19-9-11-29-75)99-65(110)50(22-14-32-87-73(82)83)92-63(108)49(21-13-31-86-72(80)81)93-68(113)55(39-77)98-67(112)53(37-43-17-7-6-8-18-43)90-57(102)40-89-62(107)54(38-58(103)104)96-61(106)46(78)36-44-25-27-45(101)28-26-44/h6-8,17-18,25-28,41-42,46-56,59,101H,5,9-16,19-24,29-40,75-78H2,1-4H3,(H2,79,105)(H,89,107)(H,90,102)(H,91,111)(H,92,108)(H,93,113)(H,94,114)(H,95,115)(H,96,106)(H,97,109)(H,98,112)(H,99,110)(H,103,104)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54+,55-,56-,59-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138766
PNG
(CHEMBL439272 | cyclo[D-Ala3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H101N23O13/c1-4-34(2)49(59(98)81-43(19-12-28-75-63(71)72)60(99)86-29-13-20-47(86)58(97)78-40(50(66)89)16-8-9-25-64)85-54(93)42(18-11-27-74-62(69)70)79-53(92)41(17-10-26-73-61(67)68)80-57(96)46-33-76-48(88)32-45(83-52(91)39(65)30-37-21-23-38(87)24-22-37)55(94)77-35(3)51(90)82-44(56(95)84-46)31-36-14-6-5-7-15-36/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-65H2,1-3H3,(H2,66,89)(H,76,88)(H,77,94)(H,78,97)(H,79,92)(H,80,96)(H,81,98)(H,82,90)(H,83,91)(H,84,95)(H,85,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,35+,39-,40-,41-,42-,43-,44+,45+,46+,47-,49-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138779
PNG
(CHEMBL414477 | Linear [D-Asp2,Dap5]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C62H101N23O14/c1-3-34(2)49(58(98)81-42(18-11-27-75-62(71)72)59(99)85-28-12-19-46(85)57(97)78-39(50(66)90)15-7-8-24-63)84-54(94)41(17-10-26-74-61(69)70)79-53(93)40(16-9-25-73-60(67)68)80-56(96)45(32-64)83-55(95)43(30-35-13-5-4-6-14-35)77-47(87)33-76-52(92)44(31-48(88)89)82-51(91)38(65)29-36-20-22-37(86)23-21-36/h4-6,13-14,20-23,34,38-46,49,86H,3,7-12,15-19,24-33,63-65H2,1-2H3,(H2,66,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,96)(H,81,98)(H,82,91)(H,83,95)(H,84,94)(H,88,89)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,38-,39-,40-,41-,42-,43-,44+,45-,46-,49-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50036266
PNG
(CHEMBL262963 | Dyn A(H-Tyr-Gly-Ala-Phe-Leu-Arg-Arg...)
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)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138768
PNG
(CHEMBL438781 | Linear [D-Asp2,Dap5]Dyn A-(1-13)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=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(N)=O
Show InChI InChI=1S/C74H124N26O16/c1-5-42(4)59(70(115)95-51(23-15-33-88-74(84)85)71(116)100-34-16-24-56(100)69(114)94-48(20-10-12-30-76)64(109)97-52(35-41(2)3)66(111)91-47(60(79)105)19-9-11-29-75)99-65(110)50(22-14-32-87-73(82)83)92-63(108)49(21-13-31-86-72(80)81)93-68(113)55(39-77)98-67(112)53(37-43-17-7-6-8-18-43)90-57(102)40-89-62(107)54(38-58(103)104)96-61(106)46(78)36-44-25-27-45(101)28-26-44/h6-8,17-18,25-28,41-42,46-56,59,101H,5,9-16,19-24,29-40,75-78H2,1-4H3,(H2,79,105)(H,89,107)(H,90,102)(H,91,111)(H,92,108)(H,93,113)(H,94,114)(H,95,115)(H,96,106)(H,97,109)(H,98,112)(H,99,110)(H,103,104)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54+,55-,56-,59-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138774
PNG
(CHEMBL415795 | Linear [D-Ala3]Dyn A-(1-11)NH2)
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)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50002184
PNG
(CHEMBL415330 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-A...)
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(N)=O
Show InChI InChI=1S/C75H127N25O14/c1-7-45(6)61(71(113)96-54(25-17-35-88-75(84)85)72(114)100-36-18-26-58(100)70(112)95-51(22-12-14-32-77)65(107)97-55(37-43(2)3)67(109)92-50(62(79)104)21-11-13-31-76)99-66(108)53(24-16-34-87-74(82)83)93-64(106)52(23-15-33-86-73(80)81)94-68(110)56(38-44(4)5)98-69(111)57(40-46-19-9-8-10-20-46)91-60(103)42-89-59(102)41-90-63(105)49(78)39-47-27-29-48(101)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,101H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H2,79,104)(H,89,102)(H,90,105)(H,91,103)(H,92,109)(H,93,106)(H,94,110)(H,95,112)(H,96,113)(H,97,107)(H,98,111)(H,99,108)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138770
PNG
(CHEMBL411282 | cyclo[D-Asp2,Dap5]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C62H99N23O13/c1-3-34(2)49(58(97)81-42(18-11-27-74-62(70)71)59(98)85-28-12-19-46(85)57(96)78-39(50(65)89)15-7-8-24-63)84-54(93)41(17-10-26-73-61(68)69)79-53(92)40(16-9-25-72-60(66)67)80-56(95)45-32-75-47(87)31-44(82-51(90)38(64)29-36-20-22-37(86)23-21-36)52(91)76-33-48(88)77-43(55(94)83-45)30-35-13-5-4-6-14-35/h4-6,13-14,20-23,34,38-46,49,86H,3,7-12,15-19,24-33,63-64H2,1-2H3,(H2,65,89)(H,75,87)(H,76,91)(H,77,88)(H,78,96)(H,79,92)(H,80,95)(H,81,97)(H,82,90)(H,83,94)(H,84,93)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t34-,38-,39-,40-,41-,42-,43+,44+,45+,46-,49-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138770
PNG
(CHEMBL411282 | cyclo[D-Asp2,Dap5]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C62H99N23O13/c1-3-34(2)49(58(97)81-42(18-11-27-74-62(70)71)59(98)85-28-12-19-46(85)57(96)78-39(50(65)89)15-7-8-24-63)84-54(93)41(17-10-26-73-61(68)69)79-53(92)40(16-9-25-72-60(66)67)80-56(95)45-32-75-47(87)31-44(82-51(90)38(64)29-36-20-22-37(86)23-21-36)52(91)76-33-48(88)77-43(55(94)83-45)30-35-13-5-4-6-14-35/h4-6,13-14,20-23,34,38-46,49,86H,3,7-12,15-19,24-33,63-64H2,1-2H3,(H2,65,89)(H,75,87)(H,76,91)(H,77,88)(H,78,96)(H,79,92)(H,80,95)(H,81,97)(H,82,90)(H,83,94)(H,84,93)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t34-,38-,39-,40-,41-,42-,43+,44+,45+,46-,49-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138776
PNG
(CHEMBL440449 | Linear [Ala3]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H103N23O14/c1-4-34(2)49(59(99)81-43(19-12-28-76-63(72)73)60(100)86-29-13-20-47(86)58(98)78-40(50(67)90)16-8-9-25-64)85-54(94)42(18-11-27-75-62(70)71)79-53(93)41(17-10-26-74-61(68)69)80-57(97)46(33-65)84-56(96)44(31-36-14-6-5-7-15-36)82-51(91)35(3)77-55(95)45(32-48(88)89)83-52(92)39(66)30-37-21-23-38(87)24-22-37/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-66H2,1-3H3,(H2,67,90)(H,77,95)(H,78,98)(H,79,93)(H,80,97)(H,81,99)(H,82,91)(H,83,92)(H,84,96)(H,85,94)(H,88,89)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t34-,35-,39-,40-,41-,42-,43-,44-,45+,46-,47-,49-/m0/s1
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0.860n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138780
PNG
(CHEMBL261992 | cyclo[Ala3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H101N23O13/c1-4-34(2)49(59(98)81-43(19-12-28-75-63(71)72)60(99)86-29-13-20-47(86)58(97)78-40(50(66)89)16-8-9-25-64)85-54(93)42(18-11-27-74-62(69)70)79-53(92)41(17-10-26-73-61(67)68)80-57(96)46-33-76-48(88)32-45(83-52(91)39(65)30-37-21-23-38(87)24-22-37)55(94)77-35(3)51(90)82-44(56(95)84-46)31-36-14-6-5-7-15-36/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-65H2,1-3H3,(H2,66,89)(H,76,88)(H,77,94)(H,78,97)(H,79,92)(H,80,96)(H,81,98)(H,82,90)(H,83,91)(H,84,95)(H,85,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,35-,39-,40-,41-,42-,43-,44+,45+,46+,47-,49-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138775
PNG
(CHEMBL428669 | cyclo[D-Asp2,Dap5]Dyn A-(1-13)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C74H122N26O15/c1-5-42(4)59(70(114)95-51(23-15-33-87-74(83)84)71(115)100-34-16-24-56(100)69(113)94-48(20-10-12-30-76)64(108)97-52(35-41(2)3)66(110)91-47(60(78)104)19-9-11-29-75)99-65(109)50(22-14-32-86-73(81)82)92-63(107)49(21-13-31-85-72(79)80)93-68(112)55-39-88-57(102)38-54(96-61(105)46(77)36-44-25-27-45(101)28-26-44)62(106)89-40-58(103)90-53(67(111)98-55)37-43-17-7-6-8-18-43/h6-8,17-18,25-28,41-42,46-56,59,101H,5,9-16,19-24,29-40,75-77H2,1-4H3,(H2,78,104)(H,88,102)(H,89,106)(H,90,103)(H,91,110)(H,92,107)(H,93,112)(H,94,113)(H,95,114)(H,96,105)(H,97,108)(H,98,111)(H,99,109)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t42-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56-,59-/m0/s1
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1.17n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138773
PNG
(CHEMBL415818 | Linear [D-Trp3]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C71H108N24O14/c1-3-39(2)57(67(108)89-50(22-13-31-84-71(80)81)68(109)95-32-14-23-55(95)66(107)86-47(58(75)99)19-9-10-28-72)94-61(102)49(21-12-30-83-70(78)79)87-60(101)48(20-11-29-82-69(76)77)88-65(106)54(37-73)93-62(103)51(34-40-15-5-4-6-16-40)91-63(104)52(35-42-38-85-46-18-8-7-17-44(42)46)92-64(105)53(36-56(97)98)90-59(100)45(74)33-41-24-26-43(96)27-25-41/h4-8,15-18,24-27,38-39,45,47-55,57,85,96H,3,9-14,19-23,28-37,72-74H2,1-2H3,(H2,75,99)(H,86,107)(H,87,101)(H,88,106)(H,89,108)(H,90,100)(H,91,104)(H,92,105)(H,93,103)(H,94,102)(H,97,98)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t39-,45-,47-,48-,49-,50-,51-,52+,53+,54-,55-,57-/m0/s1
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1.26n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138777
PNG
(CHEMBL414904 | cyclo[Trp3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C71H106N24O13/c1-3-39(2)57(67(107)89-50(22-13-31-83-71(79)80)68(108)95-32-14-23-55(95)66(106)86-47(58(74)98)19-9-10-28-72)94-61(101)49(21-12-30-82-70(77)78)87-60(100)48(20-11-29-81-69(75)76)88-65(105)54-38-85-56(97)36-53(90-59(99)45(73)33-41-24-26-43(96)27-25-41)64(104)92-52(35-42-37-84-46-18-8-7-17-44(42)46)63(103)91-51(62(102)93-54)34-40-15-5-4-6-16-40/h4-8,15-18,24-27,37,39,45,47-55,57,84,96H,3,9-14,19-23,28-36,38,72-73H2,1-2H3,(H2,74,98)(H,85,97)(H,86,106)(H,87,100)(H,88,105)(H,89,107)(H,90,99)(H,91,103)(H,92,104)(H,93,102)(H,94,101)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t39-,45-,47-,48-,49-,50-,51+,52-,53+,54+,55-,57-/m0/s1
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1.33n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138767
PNG
(CHEMBL405721 | Linear [Trp3]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C71H108N24O14/c1-3-39(2)57(67(108)89-50(22-13-31-84-71(80)81)68(109)95-32-14-23-55(95)66(107)86-47(58(75)99)19-9-10-28-72)94-61(102)49(21-12-30-83-70(78)79)87-60(101)48(20-11-29-82-69(76)77)88-65(106)54(37-73)93-62(103)51(34-40-15-5-4-6-16-40)91-63(104)52(35-42-38-85-46-18-8-7-17-44(42)46)92-64(105)53(36-56(97)98)90-59(100)45(74)33-41-24-26-43(96)27-25-41/h4-8,15-18,24-27,38-39,45,47-55,57,85,96H,3,9-14,19-23,28-37,72-74H2,1-2H3,(H2,75,99)(H,86,107)(H,87,101)(H,88,106)(H,89,108)(H,90,100)(H,91,104)(H,92,105)(H,93,103)(H,94,102)(H,97,98)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t39-,45-,47-,48-,49-,50-,51-,52-,53+,54-,55-,57-/m0/s1
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1.34n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138778
PNG
(CHEMBL414360 | Linear [Trp3]Dyn A-(1-11)NH2)
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)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C72H111N23O12/c1-5-42(4)59(68(106)91-53(24-15-33-84-72(80)81)69(107)95-34-16-25-57(95)67(105)88-50(60(75)98)21-11-12-30-73)94-63(101)52(23-14-32-83-71(78)79)89-62(100)51(22-13-31-82-70(76)77)90-64(102)54(35-41(2)3)92-65(103)55(37-43-17-7-6-8-18-43)93-66(104)56(38-45-39-85-49-20-10-9-19-47(45)49)87-58(97)40-86-61(99)48(74)36-44-26-28-46(96)29-27-44/h6-10,17-20,26-29,39,41-42,48,50-57,59,85,96H,5,11-16,21-25,30-38,40,73-74H2,1-4H3,(H2,75,98)(H,86,99)(H,87,97)(H,88,105)(H,89,100)(H,90,102)(H,91,106)(H,92,103)(H,93,104)(H,94,101)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t42-,48-,50-,51-,52-,53-,54-,55-,56-,57-,59-/m0/s1
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1.56n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138779
PNG
(CHEMBL414477 | Linear [D-Asp2,Dap5]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C62H101N23O14/c1-3-34(2)49(58(98)81-42(18-11-27-75-62(71)72)59(99)85-28-12-19-46(85)57(97)78-39(50(66)90)15-7-8-24-63)84-54(94)41(17-10-26-74-61(69)70)79-53(93)40(16-9-25-73-60(67)68)80-56(96)45(32-64)83-55(95)43(30-35-13-5-4-6-14-35)77-47(87)33-76-52(92)44(31-48(88)89)82-51(91)38(65)29-36-20-22-37(86)23-21-36/h4-6,13-14,20-23,34,38-46,49,86H,3,7-12,15-19,24-33,63-65H2,1-2H3,(H2,66,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,96)(H,81,98)(H,82,91)(H,83,95)(H,84,94)(H,88,89)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,38-,39-,40-,41-,42-,43-,44+,45-,46-,49-/m0/s1
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1.59n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50002184
PNG
(CHEMBL415330 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-A...)
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(N)=O
Show InChI InChI=1S/C75H127N25O14/c1-7-45(6)61(71(113)96-54(25-17-35-88-75(84)85)72(114)100-36-18-26-58(100)70(112)95-51(22-12-14-32-77)65(107)97-55(37-43(2)3)67(109)92-50(62(79)104)21-11-13-31-76)99-66(108)53(24-16-34-87-74(82)83)93-64(106)52(23-15-33-86-73(80)81)94-68(110)56(38-44(4)5)98-69(111)57(40-46-19-9-8-10-20-46)91-60(103)42-89-59(102)41-90-63(105)49(78)39-47-27-29-48(101)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,101H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H2,79,104)(H,89,102)(H,90,105)(H,91,103)(H,92,109)(H,93,106)(H,94,110)(H,95,112)(H,96,113)(H,97,107)(H,98,111)(H,99,108)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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1.88n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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1.91n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138776
PNG
(CHEMBL440449 | Linear [Ala3]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H103N23O14/c1-4-34(2)49(59(99)81-43(19-12-28-76-63(72)73)60(100)86-29-13-20-47(86)58(98)78-40(50(67)90)16-8-9-25-64)85-54(94)42(18-11-27-75-62(70)71)79-53(93)41(17-10-26-74-61(68)69)80-57(97)46(33-65)84-56(96)44(31-36-14-6-5-7-15-36)82-51(91)35(3)77-55(95)45(32-48(88)89)83-52(92)39(66)30-37-21-23-38(87)24-22-37/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-66H2,1-3H3,(H2,67,90)(H,77,95)(H,78,98)(H,79,93)(H,80,97)(H,81,99)(H,82,91)(H,83,92)(H,84,96)(H,85,94)(H,88,89)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t34-,35-,39-,40-,41-,42-,43-,44-,45+,46-,47-,49-/m0/s1
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2.02n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138777
PNG
(CHEMBL414904 | cyclo[Trp3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C71H106N24O13/c1-3-39(2)57(67(107)89-50(22-13-31-83-71(79)80)68(108)95-32-14-23-55(95)66(106)86-47(58(74)98)19-9-10-28-72)94-61(101)49(21-12-30-82-70(77)78)87-60(100)48(20-11-29-81-69(75)76)88-65(105)54-38-85-56(97)36-53(90-59(99)45(73)33-41-24-26-43(96)27-25-41)64(104)92-52(35-42-37-84-46-18-8-7-17-44(42)46)63(103)91-51(62(102)93-54)34-40-15-5-4-6-16-40/h4-8,15-18,24-27,37,39,45,47-55,57,84,96H,3,9-14,19-23,28-36,38,72-73H2,1-2H3,(H2,74,98)(H,85,97)(H,86,106)(H,87,100)(H,88,105)(H,89,107)(H,90,99)(H,91,103)(H,92,104)(H,93,102)(H,94,101)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t39-,45-,47-,48-,49-,50-,51+,52-,53+,54+,55-,57-/m0/s1
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2.09n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138765
PNG
(CHEMBL405307 | cyclo[D-Trp3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C71H106N24O13/c1-3-39(2)57(67(107)89-50(22-13-31-83-71(79)80)68(108)95-32-14-23-55(95)66(106)86-47(58(74)98)19-9-10-28-72)94-61(101)49(21-12-30-82-70(77)78)87-60(100)48(20-11-29-81-69(75)76)88-65(105)54-38-85-56(97)36-53(90-59(99)45(73)33-41-24-26-43(96)27-25-41)64(104)92-52(35-42-37-84-46-18-8-7-17-44(42)46)63(103)91-51(62(102)93-54)34-40-15-5-4-6-16-40/h4-8,15-18,24-27,37,39,45,47-55,57,84,96H,3,9-14,19-23,28-36,38,72-73H2,1-2H3,(H2,74,98)(H,85,97)(H,86,106)(H,87,100)(H,88,105)(H,89,107)(H,90,99)(H,91,103)(H,92,104)(H,93,102)(H,94,101)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t39-,45-,47-,48-,49-,50-,51+,52+,53+,54+,55-,57-/m0/s1
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2.25n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138780
PNG
(CHEMBL261992 | cyclo[Ala3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H101N23O13/c1-4-34(2)49(59(98)81-43(19-12-28-75-63(71)72)60(99)86-29-13-20-47(86)58(97)78-40(50(66)89)16-8-9-25-64)85-54(93)42(18-11-27-74-62(69)70)79-53(92)41(17-10-26-73-61(67)68)80-57(96)46-33-76-48(88)32-45(83-52(91)39(65)30-37-21-23-38(87)24-22-37)55(94)77-35(3)51(90)82-44(56(95)84-46)31-36-14-6-5-7-15-36/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-65H2,1-3H3,(H2,66,89)(H,76,88)(H,77,94)(H,78,97)(H,79,92)(H,80,96)(H,81,98)(H,82,90)(H,83,91)(H,84,95)(H,85,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,35-,39-,40-,41-,42-,43-,44+,45+,46+,47-,49-/m0/s1
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2.52n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50138775
PNG
(CHEMBL428669 | cyclo[D-Asp2,Dap5]Dyn A-(1-13)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C74H122N26O15/c1-5-42(4)59(70(114)95-51(23-15-33-87-74(83)84)71(115)100-34-16-24-56(100)69(113)94-48(20-10-12-30-76)64(108)97-52(35-41(2)3)66(110)91-47(60(78)104)19-9-11-29-75)99-65(109)50(22-14-32-86-73(81)82)92-63(107)49(21-13-31-85-72(79)80)93-68(112)55-39-88-57(102)38-54(96-61(105)46(77)36-44-25-27-45(101)28-26-44)62(106)89-40-58(103)90-53(67(111)98-55)37-43-17-7-6-8-18-43/h6-8,17-18,25-28,41-42,46-56,59,101H,5,9-16,19-24,29-40,75-77H2,1-4H3,(H2,78,104)(H,88,102)(H,89,106)(H,90,103)(H,91,110)(H,92,107)(H,93,112)(H,94,113)(H,95,114)(H,96,105)(H,97,108)(H,98,111)(H,99,109)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t42-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56-,59-/m0/s1
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3.31n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138767
PNG
(CHEMBL405721 | Linear [Trp3]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C71H108N24O14/c1-3-39(2)57(67(108)89-50(22-13-31-84-71(80)81)68(109)95-32-14-23-55(95)66(107)86-47(58(75)99)19-9-10-28-72)94-61(102)49(21-12-30-83-70(78)79)87-60(101)48(20-11-29-82-69(76)77)88-65(106)54(37-73)93-62(103)51(34-40-15-5-4-6-16-40)91-63(104)52(35-42-38-85-46-18-8-7-17-44(42)46)92-64(105)53(36-56(97)98)90-59(100)45(74)33-41-24-26-43(96)27-25-41/h4-8,15-18,24-27,38-39,45,47-55,57,85,96H,3,9-14,19-23,28-37,72-74H2,1-2H3,(H2,75,99)(H,86,107)(H,87,101)(H,88,106)(H,89,108)(H,90,100)(H,91,104)(H,92,105)(H,93,103)(H,94,102)(H,97,98)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t39-,45-,47-,48-,49-,50-,51-,52-,53+,54-,55-,57-/m0/s1
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3.41n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138766
PNG
(CHEMBL439272 | cyclo[D-Ala3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H101N23O13/c1-4-34(2)49(59(98)81-43(19-12-28-75-63(71)72)60(99)86-29-13-20-47(86)58(97)78-40(50(66)89)16-8-9-25-64)85-54(93)42(18-11-27-74-62(69)70)79-53(92)41(17-10-26-73-61(67)68)80-57(96)46-33-76-48(88)32-45(83-52(91)39(65)30-37-21-23-38(87)24-22-37)55(94)77-35(3)51(90)82-44(56(95)84-46)31-36-14-6-5-7-15-36/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-65H2,1-3H3,(H2,66,89)(H,76,88)(H,77,94)(H,78,97)(H,79,92)(H,80,96)(H,81,98)(H,82,90)(H,83,91)(H,84,95)(H,85,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,35+,39-,40-,41-,42-,43-,44+,45+,46+,47-,49-/m0/s1
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3.89n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50138768
PNG
(CHEMBL438781 | Linear [D-Asp2,Dap5]Dyn A-(1-13)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=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(N)=O
Show InChI InChI=1S/C74H124N26O16/c1-5-42(4)59(70(115)95-51(23-15-33-88-74(84)85)71(116)100-34-16-24-56(100)69(114)94-48(20-10-12-30-76)64(109)97-52(35-41(2)3)66(111)91-47(60(79)105)19-9-11-29-75)99-65(110)50(22-14-32-87-73(82)83)92-63(108)49(21-13-31-86-72(80)81)93-68(113)55(39-77)98-67(112)53(37-43-17-7-6-8-18-43)90-57(102)40-89-62(107)54(38-58(103)104)96-61(106)46(78)36-44-25-27-45(101)28-26-44/h6-8,17-18,25-28,41-42,46-56,59,101H,5,9-16,19-24,29-40,75-78H2,1-4H3,(H2,79,105)(H,89,107)(H,90,102)(H,91,111)(H,92,108)(H,93,113)(H,94,114)(H,95,115)(H,96,106)(H,97,109)(H,98,112)(H,99,110)(H,103,104)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54+,55-,56-,59-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138769
PNG
(CHEMBL410152 | Linear [D-Ala3]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H103N23O14/c1-4-34(2)49(59(99)81-43(19-12-28-76-63(72)73)60(100)86-29-13-20-47(86)58(98)78-40(50(67)90)16-8-9-25-64)85-54(94)42(18-11-27-75-62(70)71)79-53(93)41(17-10-26-74-61(68)69)80-57(97)46(33-65)84-56(96)44(31-36-14-6-5-7-15-36)82-51(91)35(3)77-55(95)45(32-48(88)89)83-52(92)39(66)30-37-21-23-38(87)24-22-37/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-66H2,1-3H3,(H2,67,90)(H,77,95)(H,78,98)(H,79,93)(H,80,97)(H,81,99)(H,82,91)(H,83,92)(H,84,96)(H,85,94)(H,88,89)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t34-,35+,39-,40-,41-,42-,43-,44-,45+,46-,47-,49-/m0/s1
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4.21n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138773
PNG
(CHEMBL415818 | Linear [D-Trp3]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C71H108N24O14/c1-3-39(2)57(67(108)89-50(22-13-31-84-71(80)81)68(109)95-32-14-23-55(95)66(107)86-47(58(75)99)19-9-10-28-72)94-61(102)49(21-12-30-83-70(78)79)87-60(101)48(20-11-29-82-69(76)77)88-65(106)54(37-73)93-62(103)51(34-40-15-5-4-6-16-40)91-63(104)52(35-42-38-85-46-18-8-7-17-44(42)46)92-64(105)53(36-56(97)98)90-59(100)45(74)33-41-24-26-43(96)27-25-41/h4-8,15-18,24-27,38-39,45,47-55,57,85,96H,3,9-14,19-23,28-37,72-74H2,1-2H3,(H2,75,99)(H,86,107)(H,87,101)(H,88,106)(H,89,108)(H,90,100)(H,91,104)(H,92,105)(H,93,103)(H,94,102)(H,97,98)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t39-,45-,47-,48-,49-,50-,51-,52+,53+,54-,55-,57-/m0/s1
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4.57n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50138770
PNG
(CHEMBL411282 | cyclo[D-Asp2,Dap5]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C62H99N23O13/c1-3-34(2)49(58(97)81-42(18-11-27-74-62(70)71)59(98)85-28-12-19-46(85)57(96)78-39(50(65)89)15-7-8-24-63)84-54(93)41(17-10-26-73-61(68)69)79-53(92)40(16-9-25-72-60(66)67)80-56(95)45-32-75-47(87)31-44(82-51(90)38(64)29-36-20-22-37(86)23-21-36)52(91)76-33-48(88)77-43(55(94)83-45)30-35-13-5-4-6-14-35/h4-6,13-14,20-23,34,38-46,49,86H,3,7-12,15-19,24-33,63-64H2,1-2H3,(H2,65,89)(H,75,87)(H,76,91)(H,77,88)(H,78,96)(H,79,92)(H,80,95)(H,81,97)(H,82,90)(H,83,94)(H,84,93)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t34-,38-,39-,40-,41-,42-,43+,44+,45+,46-,49-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138772
PNG
(CHEMBL440810 | Linear [D-Trp3]Dyn A-(1-11)NH2)
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)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C72H111N23O12/c1-5-42(4)59(68(106)91-53(24-15-33-84-72(80)81)69(107)95-34-16-25-57(95)67(105)88-50(60(75)98)21-11-12-30-73)94-63(101)52(23-14-32-83-71(78)79)89-62(100)51(22-13-31-82-70(76)77)90-64(102)54(35-41(2)3)92-65(103)55(37-43-17-7-6-8-18-43)93-66(104)56(38-45-39-85-49-20-10-9-19-47(45)49)87-58(97)40-86-61(99)48(74)36-44-26-28-46(96)29-27-44/h6-10,17-20,26-29,39,41-42,48,50-57,59,85,96H,5,11-16,21-25,30-38,40,73-74H2,1-4H3,(H2,75,98)(H,86,99)(H,87,97)(H,88,105)(H,89,100)(H,90,102)(H,91,106)(H,92,103)(H,93,104)(H,94,101)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t42-,48-,50-,51-,52-,53-,54-,55-,56+,57-,59-/m0/s1
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5.41n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50002184
PNG
(CHEMBL415330 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-A...)
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(N)=O
Show InChI InChI=1S/C75H127N25O14/c1-7-45(6)61(71(113)96-54(25-17-35-88-75(84)85)72(114)100-36-18-26-58(100)70(112)95-51(22-12-14-32-77)65(107)97-55(37-43(2)3)67(109)92-50(62(79)104)21-11-13-31-76)99-66(108)53(24-16-34-87-74(82)83)93-64(106)52(23-15-33-86-73(80)81)94-68(110)56(38-44(4)5)98-69(111)57(40-46-19-9-8-10-20-46)91-60(103)42-89-59(102)41-90-63(105)49(78)39-47-27-29-48(101)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,101H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H2,79,104)(H,89,102)(H,90,105)(H,91,103)(H,92,109)(H,93,106)(H,94,110)(H,95,112)(H,96,113)(H,97,107)(H,98,111)(H,99,108)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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6.07n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138769
PNG
(CHEMBL410152 | Linear [D-Ala3]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H103N23O14/c1-4-34(2)49(59(99)81-43(19-12-28-76-63(72)73)60(100)86-29-13-20-47(86)58(98)78-40(50(67)90)16-8-9-25-64)85-54(94)42(18-11-27-75-62(70)71)79-53(93)41(17-10-26-74-61(68)69)80-57(97)46(33-65)84-56(96)44(31-36-14-6-5-7-15-36)82-51(91)35(3)77-55(95)45(32-48(88)89)83-52(92)39(66)30-37-21-23-38(87)24-22-37/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-66H2,1-3H3,(H2,67,90)(H,77,95)(H,78,98)(H,79,93)(H,80,97)(H,81,99)(H,82,91)(H,83,92)(H,84,96)(H,85,94)(H,88,89)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t34-,35+,39-,40-,41-,42-,43-,44-,45+,46-,47-,49-/m0/s1
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6.12n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


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



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138765
PNG
(CHEMBL405307 | cyclo[D-Trp3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C71H106N24O13/c1-3-39(2)57(67(107)89-50(22-13-31-83-71(79)80)68(108)95-32-14-23-55(95)66(106)86-47(58(74)98)19-9-10-28-72)94-61(101)49(21-12-30-82-70(77)78)87-60(100)48(20-11-29-81-69(75)76)88-65(105)54-38-85-56(97)36-53(90-59(99)45(73)33-41-24-26-43(96)27-25-41)64(104)92-52(35-42-37-84-46-18-8-7-17-44(42)46)63(103)91-51(62(102)93-54)34-40-15-5-4-6-16-40/h4-8,15-18,24-27,37,39,45,47-55,57,84,96H,3,9-14,19-23,28-36,38,72-73H2,1-2H3,(H2,74,98)(H,85,97)(H,86,106)(H,87,100)(H,88,105)(H,89,107)(H,90,99)(H,91,103)(H,92,104)(H,93,102)(H,94,101)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t39-,45-,47-,48-,49-,50-,51+,52+,53+,54+,55-,57-/m0/s1
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7.27n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138771
PNG
(CHEMBL438044 | cyclo[Pro3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H103N23O13/c1-3-36(2)51(60(99)82-44(19-11-29-77-65(73)74)61(100)87-30-12-20-48(87)58(97)79-41(52(68)91)16-7-8-26-66)86-55(94)43(18-10-28-76-64(71)72)80-54(93)42(17-9-27-75-63(69)70)81-57(96)47-35-78-50(90)34-46(84-53(92)40(67)32-38-22-24-39(89)25-23-38)62(101)88-31-13-21-49(88)59(98)83-45(56(95)85-47)33-37-14-5-4-6-15-37/h4-6,14-15,22-25,36,40-49,51,89H,3,7-13,16-21,26-35,66-67H2,1-2H3,(H2,68,91)(H,78,90)(H,79,97)(H,80,93)(H,81,96)(H,82,99)(H,83,98)(H,84,92)(H,85,95)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t36-,40-,41-,42-,43-,44-,45+,46+,47+,48-,49-,51-/m0/s1
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9.03n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50138779
PNG
(CHEMBL414477 | Linear [D-Asp2,Dap5]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C62H101N23O14/c1-3-34(2)49(58(98)81-42(18-11-27-75-62(71)72)59(99)85-28-12-19-46(85)57(97)78-39(50(66)90)15-7-8-24-63)84-54(94)41(17-10-26-74-61(69)70)79-53(93)40(16-9-25-73-60(67)68)80-56(96)45(32-64)83-55(95)43(30-35-13-5-4-6-14-35)77-47(87)33-76-52(92)44(31-48(88)89)82-51(91)38(65)29-36-20-22-37(86)23-21-36/h4-6,13-14,20-23,34,38-46,49,86H,3,7-12,15-19,24-33,63-65H2,1-2H3,(H2,66,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,96)(H,81,98)(H,82,91)(H,83,95)(H,84,94)(H,88,89)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,38-,39-,40-,41-,42-,43-,44+,45-,46-,49-/m0/s1
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11.6n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50036266
PNG
(CHEMBL262963 | Dyn A(H-Tyr-Gly-Ala-Phe-Leu-Arg-Arg...)
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)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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16.4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138774
PNG
(CHEMBL415795 | Linear [D-Ala3]Dyn A-(1-11)NH2)
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)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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19.8n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50036266
PNG
(CHEMBL262963 | Dyn A(H-Tyr-Gly-Ala-Phe-Leu-Arg-Arg...)
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)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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23.3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50138780
PNG
(CHEMBL261992 | cyclo[Ala3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H101N23O13/c1-4-34(2)49(59(98)81-43(19-12-28-75-63(71)72)60(99)86-29-13-20-47(86)58(97)78-40(50(66)89)16-8-9-25-64)85-54(93)42(18-11-27-74-62(69)70)79-53(92)41(17-10-26-73-61(67)68)80-57(96)46-33-76-48(88)32-45(83-52(91)39(65)30-37-21-23-38(87)24-22-37)55(94)77-35(3)51(90)82-44(56(95)84-46)31-36-14-6-5-7-15-36/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-65H2,1-3H3,(H2,66,89)(H,76,88)(H,77,94)(H,78,97)(H,79,92)(H,80,96)(H,81,98)(H,82,90)(H,83,91)(H,84,95)(H,85,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,35-,39-,40-,41-,42-,43-,44+,45+,46+,47-,49-/m0/s1
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30.8n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138778
PNG
(CHEMBL414360 | Linear [Trp3]Dyn A-(1-11)NH2)
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)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C72H111N23O12/c1-5-42(4)59(68(106)91-53(24-15-33-84-72(80)81)69(107)95-34-16-25-57(95)67(105)88-50(60(75)98)21-11-12-30-73)94-63(101)52(23-14-32-83-71(78)79)89-62(100)51(22-13-31-82-70(76)77)90-64(102)54(35-41(2)3)92-65(103)55(37-43-17-7-6-8-18-43)93-66(104)56(38-45-39-85-49-20-10-9-19-47(45)49)87-58(97)40-86-61(99)48(74)36-44-26-28-46(96)29-27-44/h6-10,17-20,26-29,39,41-42,48,50-57,59,85,96H,5,11-16,21-25,30-38,40,73-74H2,1-4H3,(H2,75,98)(H,86,99)(H,87,97)(H,88,105)(H,89,100)(H,90,102)(H,91,106)(H,92,103)(H,93,104)(H,94,101)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t42-,48-,50-,51-,52-,53-,54-,55-,56-,57-,59-/m0/s1
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42.7n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138772
PNG
(CHEMBL440810 | Linear [D-Trp3]Dyn A-(1-11)NH2)
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)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C72H111N23O12/c1-5-42(4)59(68(106)91-53(24-15-33-84-72(80)81)69(107)95-34-16-25-57(95)67(105)88-50(60(75)98)21-11-12-30-73)94-63(101)52(23-14-32-83-71(78)79)89-62(100)51(22-13-31-82-70(76)77)90-64(102)54(35-41(2)3)92-65(103)55(37-43-17-7-6-8-18-43)93-66(104)56(38-45-39-85-49-20-10-9-19-47(45)49)87-58(97)40-86-61(99)48(74)36-44-26-28-46(96)29-27-44/h6-10,17-20,26-29,39,41-42,48,50-57,59,85,96H,5,11-16,21-25,30-38,40,73-74H2,1-4H3,(H2,75,98)(H,86,99)(H,87,97)(H,88,105)(H,89,100)(H,90,102)(H,91,106)(H,92,103)(H,93,104)(H,94,101)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t42-,48-,50-,51-,52-,53-,54-,55-,56+,57-,59-/m0/s1
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45.9n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50138776
PNG
(CHEMBL440449 | Linear [Ala3]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H103N23O14/c1-4-34(2)49(59(99)81-43(19-12-28-76-63(72)73)60(100)86-29-13-20-47(86)58(98)78-40(50(67)90)16-8-9-25-64)85-54(94)42(18-11-27-75-62(70)71)79-53(93)41(17-10-26-74-61(68)69)80-57(97)46(33-65)84-56(96)44(31-36-14-6-5-7-15-36)82-51(91)35(3)77-55(95)45(32-48(88)89)83-52(92)39(66)30-37-21-23-38(87)24-22-37/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-66H2,1-3H3,(H2,67,90)(H,77,95)(H,78,98)(H,79,93)(H,80,97)(H,81,99)(H,82,91)(H,83,92)(H,84,96)(H,85,94)(H,88,89)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t34-,35-,39-,40-,41-,42-,43-,44-,45+,46-,47-,49-/m0/s1
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55.1n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50138771
PNG
(CHEMBL438044 | cyclo[Pro3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H103N23O13/c1-3-36(2)51(60(99)82-44(19-11-29-77-65(73)74)61(100)87-30-12-20-48(87)58(97)79-41(52(68)91)16-7-8-26-66)86-55(94)43(18-10-28-76-64(71)72)80-54(93)42(17-9-27-75-63(69)70)81-57(96)47-35-78-50(90)34-46(84-53(92)40(67)32-38-22-24-39(89)25-23-38)62(101)88-31-13-21-49(88)59(98)83-45(56(95)85-47)33-37-14-5-4-6-15-37/h4-6,14-15,22-25,36,40-49,51,89H,3,7-13,16-21,26-35,66-67H2,1-2H3,(H2,68,91)(H,78,90)(H,79,97)(H,80,93)(H,81,96)(H,82,99)(H,83,98)(H,84,92)(H,85,95)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t36-,40-,41-,42-,43-,44-,45+,46+,47+,48-,49-,51-/m0/s1
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125n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50138766
PNG
(CHEMBL439272 | cyclo[D-Ala3]Dyn A-(1-11)NH2)
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]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H101N23O13/c1-4-34(2)49(59(98)81-43(19-12-28-75-63(71)72)60(99)86-29-13-20-47(86)58(97)78-40(50(66)89)16-8-9-25-64)85-54(93)42(18-11-27-74-62(69)70)79-53(92)41(17-10-26-73-61(67)68)80-57(96)46-33-76-48(88)32-45(83-52(91)39(65)30-37-21-23-38(87)24-22-37)55(94)77-35(3)51(90)82-44(56(95)84-46)31-36-14-6-5-7-15-36/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-65H2,1-3H3,(H2,66,89)(H,76,88)(H,77,94)(H,78,97)(H,79,92)(H,80,96)(H,81,98)(H,82,90)(H,83,91)(H,84,95)(H,85,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,35+,39-,40-,41-,42-,43-,44+,45+,46+,47-,49-/m0/s1
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139n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50138778
PNG
(CHEMBL414360 | Linear [Trp3]Dyn A-(1-11)NH2)
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)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C72H111N23O12/c1-5-42(4)59(68(106)91-53(24-15-33-84-72(80)81)69(107)95-34-16-25-57(95)67(105)88-50(60(75)98)21-11-12-30-73)94-63(101)52(23-14-32-83-71(78)79)89-62(100)51(22-13-31-82-70(76)77)90-64(102)54(35-41(2)3)92-65(103)55(37-43-17-7-6-8-18-43)93-66(104)56(38-45-39-85-49-20-10-9-19-47(45)49)87-58(97)40-86-61(99)48(74)36-44-26-28-46(96)29-27-44/h6-10,17-20,26-29,39,41-42,48,50-57,59,85,96H,5,11-16,21-25,30-38,40,73-74H2,1-4H3,(H2,75,98)(H,86,99)(H,87,97)(H,88,105)(H,89,100)(H,90,102)(H,91,106)(H,92,103)(H,93,104)(H,94,101)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t42-,48-,50-,51-,52-,53-,54-,55-,56-,57-,59-/m0/s1
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168n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50138774
PNG
(CHEMBL415795 | Linear [D-Ala3]Dyn A-(1-11)NH2)
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)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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213n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
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