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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'lung' and Initial = 'fd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(GUINEA PIG)
BDBM50051173
PNG
(CHEMBL217049 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)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/C65H106N20O14/c1-5-38(4)53(62(98)81-46(21-14-30-75-65(72)73)63(99)85-31-15-22-50(85)61(97)78-43(54(69)90)18-9-11-27-66)84-58(94)45(20-13-29-74-64(70)71)79-57(93)44(19-10-12-28-67)80-59(95)47(32-37(2)3)83-60(96)48(34-39-16-7-6-8-17-39)77-51(87)36-76-56(92)49(35-52(88)89)82-55(91)42(68)33-40-23-25-41(86)26-24-40/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-68H2,1-4H3,(H2,69,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,95)(H,81,98)(H,82,91)(H,83,96)(H,84,94)(H,88,89)(H4,70,71,74)(H4,72,73,75)/t38-,42-,43+,44-,45-,46-,47-,48-,49-,50+,53-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain membrane homogenates


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50038019
PNG
(CHEMBL411338 | Tyr-Gly-Gly-Phe-D-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(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
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 0.530n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 0.580n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50036267
PNG
(CHEMBL268874 | Dyn A(H-Tyr-Gly-Gly-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)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OC)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/c1-6-38(4)52(60(96)83-46(21-14-30-76-64(72)73)61(97)86-31-15-22-49(86)59(95)80-43(53(67)89)18-10-11-27-65)85-56(92)45(20-13-29-75-63(70)71)81-55(91)44(19-12-28-74-62(68)69)82-57(93)47(32-37(2)3)84-58(94)48(34-39-16-8-7-9-17-39)79-51(88)36-77-50(87)35-78-54(90)42(66)33-40-23-25-41(98-5)26-24-40/h7-9,16-17,23-26,37-38,42-49,52H,6,10-15,18-22,27-36,65-66H2,1-5H3,(H2,67,89)(H,77,87)(H,78,90)(H,79,88)(H,80,95)(H,81,91)(H,82,93)(H,83,96)(H,84,94)(H,85,92)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t38-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 0.580n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 in guinea pig brain using [3H]-U-69,593 as radioligand.


J Med Chem 38: 585-6 (1995)


BindingDB Entry DOI: 10.7270/Q2NP23F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051169
PNG
(CHEMBL409974 | Cyclic Lactam Peptide Analogues of ...)
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
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to Opioid receptor kappa 1 of plasma membrane homogenates of guinea pig brain


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]U-69,539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50038020
PNG
(CHEMBL2370618 | Tyr-Gly-Gly-Phe-D-Cys-Arg-Arg-Ile-...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-56(93)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)55(92)81-48(49(63)86)61(3,4)96-28-27-95-33-43(54(91)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)79-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,91)(H,78,93)(H,79,90)(H,80,89)(H,81,92)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39-,40-,41-,42-,43-,44-,47-,48-/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 0.710n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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
PDB

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 0.760n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 in guinea pig brain using [3H]-U-69,593 as radioligand.


J Med Chem 38: 585-6 (1995)


BindingDB Entry DOI: 10.7270/Q2NP23F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051599
PNG
(CHEMBL415224 | Dynorphin A analogues)
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)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H108N22O12/c1-7-38(4)52(61(98)83-47(22-15-31-77-65(73)74-6)62(99)87-32-16-23-50(87)60(97)80-44(53(68)90)19-11-12-28-66)86-57(94)46(21-14-30-76-64(71)72)81-56(93)45(20-13-29-75-63(69)70)82-58(95)48(33-37(2)3)85-59(96)49(35-40-17-9-8-10-18-40)84-54(91)39(5)79-51(89)36-78-55(92)43(67)34-41-24-26-42(88)27-25-41/h8-10,17-18,24-27,37-39,43-50,52,88H,7,11-16,19-23,28-36,66-67H2,1-6H3,(H2,68,90)(H,78,92)(H,79,89)(H,80,97)(H,81,93)(H,82,95)(H,83,98)(H,84,91)(H,85,96)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H3,73,74,77)/t38-,39+,43-,44-,45-,46-,47-,48-,49-,50-,52-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.760n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]U-69,539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051595
PNG
(CHEMBL413228 | Dynorphin A analogues)
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](Cc1ccccc1)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/C70H110N22O12/c1-5-42(4)57(66(103)88-51(25-16-34-82-70(78)79)67(104)92-35-17-26-55(92)65(102)85-48(58(73)95)22-12-13-31-71)91-61(98)50(24-15-33-81-69(76)77)86-60(97)49(23-14-32-80-68(74)75)87-62(99)52(36-41(2)3)89-64(101)54(39-44-20-10-7-11-21-44)90-63(100)53(38-43-18-8-6-9-19-43)84-56(94)40-83-59(96)47(72)37-45-27-29-46(93)30-28-45/h6-11,18-21,27-30,41-42,47-55,57,93H,5,12-17,22-26,31-40,71-72H2,1-4H3,(H2,73,95)(H,83,96)(H,84,94)(H,85,102)(H,86,97)(H,87,99)(H,88,103)(H,89,101)(H,90,100)(H,91,98)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t42-,47-,48-,49-,50-,51-,52-,53-,54-,55-,57-/m0/s1
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 0.890n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]U-69,539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50453445
PNG
(CHEMBL2112652)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C59H93N21O12S2/c1-3-33(2)47-55(91)76-40(15-9-23-70-59(66)67)56(92)80-24-10-16-44(80)54(90)77-42(48(61)84)31-93-25-26-94-32-43(53(89)75-38(13-7-21-68-57(62)63)50(86)74-39(51(87)79-47)14-8-22-69-58(64)65)78-52(88)41(28-34-11-5-4-6-12-34)73-46(83)30-71-45(82)29-72-49(85)37(60)27-35-17-19-36(81)20-18-35/h4-6,11-12,17-20,33,37-44,47,81H,3,7-10,13-16,21-32,60H2,1-2H3,(H2,61,84)(H,71,82)(H,72,85)(H,73,83)(H,74,86)(H,75,89)(H,76,91)(H,77,90)(H,78,88)(H,79,87)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
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UniChem

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PubMed
n/an/a 1n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50038016
PNG
(CHEMBL2370611 | Tyr-Gly-Gly-Phe-D-Cys-Arg-Arg-Ile-...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-56(93)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)55(92)81-48(49(63)86)61(3,4)96-28-27-95-33-43(54(91)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)79-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,91)(H,78,93)(H,79,90)(H,80,89)(H,81,92)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39-,40-,41-,42-,43-,44-,47-,48+/m0/s1
PDB

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 1n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50038012
PNG
(CHEMBL2370629 | Tyr-Gly-Gly-Phe-D-Pen-Arg-Arg-Ile-...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-55(92)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)54(91)79-43(49(63)86)33-95-27-28-96-61(3,4)48(56(93)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)81-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,93)(H,78,92)(H,79,91)(H,80,89)(H,81,90)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39-,40-,41-,42-,43-,44-,47-,48-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051594
PNG
(CHEMBL407303 | Dynorphin A analogues)
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)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H108N22O12/c1-7-38(4)52(61(98)83-47(22-15-31-77-65(73)74-6)62(99)87-32-16-23-50(87)60(97)80-44(53(68)90)19-11-12-28-66)86-57(94)46(21-14-30-76-64(71)72)81-56(93)45(20-13-29-75-63(69)70)82-58(95)48(33-37(2)3)85-59(96)49(35-40-17-9-8-10-18-40)84-54(91)39(5)79-51(89)36-78-55(92)43(67)34-41-24-26-42(88)27-25-41/h8-10,17-18,24-27,37-39,43-50,52,88H,7,11-16,19-23,28-36,66-67H2,1-6H3,(H2,68,90)(H,78,92)(H,79,89)(H,80,97)(H,81,93)(H,82,95)(H,83,98)(H,84,91)(H,85,96)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H3,73,74,77)/t38-,39-,43-,44-,45-,46-,47-,48-,49-,50-,52-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]U-69,539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 in guinea pig brain using [3H]-U-69,593 as radioligand.


J Med Chem 38: 585-6 (1995)


BindingDB Entry DOI: 10.7270/Q2NP23F7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50051173
PNG
(CHEMBL217049 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)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/C65H106N20O14/c1-5-38(4)53(62(98)81-46(21-14-30-75-65(72)73)63(99)85-31-15-22-50(85)61(97)78-43(54(69)90)18-9-11-27-66)84-58(94)45(20-13-29-74-64(70)71)79-57(93)44(19-10-12-28-67)80-59(95)47(32-37(2)3)83-60(96)48(34-39-16-7-6-8-17-39)77-51(87)36-76-56(92)49(35-52(88)89)82-55(91)42(68)33-40-23-25-41(86)26-24-40/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-68H2,1-4H3,(H2,69,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,95)(H,81,98)(H,82,91)(H,83,96)(H,84,94)(H,88,89)(H4,70,71,74)(H4,72,73,75)/t38-,42-,43+,44-,45-,46-,47-,48-,49-,50+,53-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]c[D-Pen2,p-Cl-Phe4,D-Pen5]enkephalin binding to delta opioid receptor of guinea pig brain plasma membrane homogenates


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051173
PNG
(CHEMBL217049 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)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/C65H106N20O14/c1-5-38(4)53(62(98)81-46(21-14-30-75-65(72)73)63(99)85-31-15-22-50(85)61(97)78-43(54(69)90)18-9-11-27-66)84-58(94)45(20-13-29-74-64(70)71)79-57(93)44(19-10-12-28-67)80-59(95)47(32-37(2)3)83-60(96)48(34-39-16-7-6-8-17-39)77-51(87)36-76-56(92)49(35-52(88)89)82-55(91)42(68)33-40-23-25-41(86)26-24-40/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-68H2,1-4H3,(H2,69,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,95)(H,81,98)(H,82,91)(H,83,96)(H,84,94)(H,88,89)(H4,70,71,74)(H4,72,73,75)/t38-,42-,43+,44-,45-,46-,47-,48-,49-,50+,53-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to Opioid receptor kappa 1 of plasma membrane homogenates of guinea pig brain


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50038014
PNG
(CHEMBL2370622 | Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-Ar...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C63H101N21O12S2/c1-7-35(2)47-56(94)80-42(19-13-27-74-61(70)71)58(96)84-28-14-20-44(84)55(93)82-48(50(65)88)62(3,4)97-29-30-98-63(5,6)49(57(95)79-40(17-11-25-72-59(66)67)52(90)78-41(53(91)81-47)18-12-26-73-60(68)69)83-54(92)43(32-36-15-9-8-10-16-36)77-46(87)34-75-45(86)33-76-51(89)39(64)31-37-21-23-38(85)24-22-37/h8-10,15-16,21-24,35,39-44,47-49,85H,7,11-14,17-20,25-34,64H2,1-6H3,(H2,65,88)(H,75,86)(H,76,89)(H,77,87)(H,78,90)(H,79,95)(H,80,94)(H,81,91)(H,82,93)(H,83,92)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t35-,39-,40-,41-,42-,43-,44-,47-,48-,49-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 2n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50038010
PNG
(CHEMBL2370627 | Tyr-Gly-Gly-Phe-Pen-Arg-Arg-Ile-Ar...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]-[#6]-[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-55(92)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)54(91)79-43(49(63)86)33-95-27-28-96-61(3,4)48(56(93)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)81-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,93)(H,78,92)(H,79,91)(H,80,89)(H,81,90)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39-,40-,41-,42-,43+,44-,47-,48-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
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UniChem

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n/an/a 2.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50038011
PNG
(CHEMBL2370612 | Tyr-Gly-Gly-Phe-Pen-Arg-Arg-Ile-Ar...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C63H101N21O12S2/c1-7-35(2)47-56(94)80-42(19-13-27-74-61(70)71)58(96)84-28-14-20-44(84)55(93)82-48(50(65)88)62(3,4)97-29-30-98-63(5,6)49(57(95)79-40(17-11-25-72-59(66)67)52(90)78-41(53(91)81-47)18-12-26-73-60(68)69)83-54(92)43(32-36-15-9-8-10-16-36)77-46(87)34-75-45(86)33-76-51(89)39(64)31-37-21-23-38(85)24-22-37/h8-10,15-16,21-24,35,39-44,47-49,85H,7,11-14,17-20,25-34,64H2,1-6H3,(H2,65,88)(H,75,86)(H,76,89)(H,77,87)(H,78,90)(H,79,95)(H,80,94)(H,81,91)(H,82,93)(H,83,92)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t35-,39-,40-,41-,42-,43-,44-,47-,48+,49-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
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UniChem

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PubMed
n/an/a 3.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50051178
PNG
(CHEMBL413011 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)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/C65H104N20O13/c1-5-38(4)53(62(97)81-46(21-14-30-75-65(71)72)63(98)85-31-15-22-50(85)61(96)78-43(54(68)89)18-9-11-27-66)84-58(93)45(20-13-29-74-64(69)70)79-57(92)44-19-10-12-28-73-51(87)35-49(82-55(90)42(67)33-40-23-25-41(86)26-24-40)56(91)76-36-52(88)77-48(34-39-16-7-6-8-17-39)60(95)83-47(32-37(2)3)59(94)80-44/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-67H2,1-4H3,(H2,68,89)(H,73,87)(H,76,91)(H,77,88)(H,78,96)(H,79,92)(H,80,94)(H,81,97)(H,82,90)(H,83,95)(H,84,93)(H4,69,70,74)(H4,71,72,75)/t38-,42-,43+,44-,45-,46-,47-,48+,49-,50+,53-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain membrane homogenates


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051174
PNG
(CHEMBL216182 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)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/C65H104N20O13/c1-5-38(4)53(62(97)81-46(21-14-30-75-65(71)72)63(98)85-31-15-22-50(85)61(96)78-43(54(68)89)18-9-11-27-66)84-57(92)44-19-10-12-28-73-51(87)35-49(77-52(88)36-76-55(90)42(67)33-40-23-25-41(86)26-24-40)60(95)83-48(34-39-16-7-6-8-17-39)59(94)82-47(32-37(2)3)58(93)80-45(56(91)79-44)20-13-29-74-64(69)70/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-67H2,1-4H3,(H2,68,89)(H,73,87)(H,76,90)(H,77,88)(H,78,96)(H,79,91)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,92)(H4,69,70,74)(H4,71,72,75)/t38-,42-,43+,44+,45+,46-,47-,48+,49-,50+,53-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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UniChem

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Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to Opioid receptor kappa 1 of plasma membrane homogenates of guinea pig brain


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50038014
PNG
(CHEMBL2370622 | Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-Ar...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C63H101N21O12S2/c1-7-35(2)47-56(94)80-42(19-13-27-74-61(70)71)58(96)84-28-14-20-44(84)55(93)82-48(50(65)88)62(3,4)97-29-30-98-63(5,6)49(57(95)79-40(17-11-25-72-59(66)67)52(90)78-41(53(91)81-47)18-12-26-73-60(68)69)83-54(92)43(32-36-15-9-8-10-16-36)77-46(87)34-75-45(86)33-76-51(89)39(64)31-37-21-23-38(85)24-22-37/h8-10,15-16,21-24,35,39-44,47-49,85H,7,11-14,17-20,25-34,64H2,1-6H3,(H2,65,88)(H,75,86)(H,76,89)(H,77,87)(H,78,90)(H,79,95)(H,80,94)(H,81,91)(H,82,93)(H,83,92)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t35-,39-,40-,41-,42-,43-,44-,47-,48-,49-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor in guinea pig brain by [3H]-DAMGO displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50038020
PNG
(CHEMBL2370618 | Tyr-Gly-Gly-Phe-D-Cys-Arg-Arg-Ile-...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-56(93)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)55(92)81-48(49(63)86)61(3,4)96-28-27-95-33-43(54(91)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)79-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,91)(H,78,93)(H,79,90)(H,80,89)(H,81,92)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39-,40-,41-,42-,43-,44-,47-,48-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
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UniChem

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PubMed
n/an/a 5.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor in guinea pig brain by [3H]-DAMGO displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50038019
PNG
(CHEMBL411338 | Tyr-Gly-Gly-Phe-D-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(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
PDB

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 5.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor in guinea pig brain by [3H]-DAMGO displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051603
PNG
(CHEMBL412792 | Dynorphin A analogues)
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](Cc1ccccc1)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/C70H110N22O12/c1-5-42(4)57(66(103)88-51(25-16-34-82-70(78)79)67(104)92-35-17-26-55(92)65(102)85-48(58(73)95)22-12-13-31-71)91-61(98)50(24-15-33-81-69(76)77)86-60(97)49(23-14-32-80-68(74)75)87-62(99)52(36-41(2)3)89-64(101)54(39-44-20-10-7-11-21-44)90-63(100)53(38-43-18-8-6-9-19-43)84-56(94)40-83-59(96)47(72)37-45-27-29-46(93)30-28-45/h6-11,18-21,27-30,41-42,47-55,57,93H,5,12-17,22-26,31-40,71-72H2,1-4H3,(H2,73,95)(H,83,96)(H,84,94)(H,85,102)(H,86,97)(H,87,99)(H,88,103)(H,89,101)(H,90,100)(H,91,98)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t42-,47-,48-,49-,50-,51-,52-,53+,54-,55-,57-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
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UniChem

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Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]U-69,539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051592
PNG
(CHEMBL2369902 | [(2S,3R)-beta-MePhe3] Dynorphin A ...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6@@H](-[#6])-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C71H112N22O12/c1-6-42(4)57(66(103)88-52(26-17-35-83-71(79)80)68(105)93-36-18-27-55(93)65(102)85-49(59(74)96)23-13-14-32-72)92-62(99)51(25-16-34-82-70(77)78)86-61(98)50(24-15-33-81-69(75)76)87-63(100)53(37-41(2)3)89-64(101)54(39-44-19-9-7-10-20-44)90-67(104)58(43(5)46-21-11-8-12-22-46)91-56(95)40-84-60(97)48(73)38-45-28-30-47(94)31-29-45/h7-12,19-22,28-31,41-43,48-55,57-58,94H,6,13-18,23-27,32-40,72-73H2,1-5H3,(H2,74,96)(H,84,97)(H,85,102)(H,86,98)(H,87,100)(H,88,103)(H,89,101)(H,90,104)(H,91,95)(H,92,99)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t42-,43-,48-,49-,50-,51-,52-,53-,54-,55-,57-,58+/m0/s1
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]U-69,539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50051592
PNG
(CHEMBL2369902 | [(2S,3R)-beta-MePhe3] Dynorphin A ...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6@@H](-[#6])-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C71H112N22O12/c1-6-42(4)57(66(103)88-52(26-17-35-83-71(79)80)68(105)93-36-18-27-55(93)65(102)85-49(59(74)96)23-13-14-32-72)92-62(99)51(25-16-34-82-70(77)78)86-61(98)50(24-15-33-81-69(75)76)87-63(100)53(37-41(2)3)89-64(101)54(39-44-19-9-7-10-20-44)90-67(104)58(43(5)46-21-11-8-12-22-46)91-56(95)40-84-60(97)48(73)38-45-28-30-47(94)31-29-45/h7-12,19-22,28-31,41-43,48-55,57-58,94H,6,13-18,23-27,32-40,72-73H2,1-5H3,(H2,74,96)(H,84,97)(H,85,102)(H,86,98)(H,87,100)(H,88,103)(H,89,101)(H,90,104)(H,91,95)(H,92,99)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t42-,43-,48-,49-,50-,51-,52-,53-,54-,55-,57-,58+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor delta 1 was determined by evaluating the inhibitory activity towards electrically stimulated mouse vas def...


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051180
PNG
(CHEMBL387083 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C61H96N20O13/c1-3-35(2)50-58(93)79-45(59(94)81-29-13-20-46(81)57(92)75-40(51(64)86)16-7-9-25-62)32-47(83)69-26-10-8-17-41(53(88)76-42(18-11-27-70-60(65)66)54(89)77-43(55(90)80-50)19-12-28-71-61(67)68)78-56(91)44(31-36-14-5-4-6-15-36)74-49(85)34-72-48(84)33-73-52(87)39(63)30-37-21-23-38(82)24-22-37/h4-6,14-15,21-24,35,39-46,50,82H,3,7-13,16-20,25-34,62-63H2,1-2H3,(H2,64,86)(H,69,83)(H,72,84)(H,73,87)(H,74,85)(H,75,92)(H,76,88)(H,77,89)(H,78,91)(H,79,93)(H,80,90)(H4,65,66,70)(H4,67,68,71)/t35-,39-,40-,41-,42-,43+,44-,45+,46+,50-/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to Opioid receptor kappa 1 of plasma membrane homogenates of guinea pig brain


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50038010
PNG
(CHEMBL2370627 | Tyr-Gly-Gly-Phe-Pen-Arg-Arg-Ile-Ar...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]-[#6]-[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-55(92)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)54(91)79-43(49(63)86)33-95-27-28-96-61(3,4)48(56(93)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)81-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,93)(H,78,92)(H,79,91)(H,80,89)(H,81,90)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39-,40-,41-,42-,43+,44-,47-,48-/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor in guinea pig brain by [3H]-DAMGO displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50454203
PNG
(CHEMBL2369896)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C70H110N22O13/c1-5-41(4)57(66(104)88-51(20-13-33-82-70(78)79)67(105)92-34-14-21-55(92)65(103)85-48(58(73)96)17-9-10-30-71)91-61(99)50(19-12-32-81-69(76)77)86-60(98)49(18-11-31-80-68(74)75)87-62(100)52(35-40(2)3)89-64(102)54(37-42-15-7-6-8-16-42)90-63(101)53(38-44-24-28-46(94)29-25-44)84-56(95)39-83-59(97)47(72)36-43-22-26-45(93)27-23-43/h6-8,15-16,22-29,40-41,47-55,57,93-94H,5,9-14,17-21,30-39,71-72H2,1-4H3,(H2,73,96)(H,83,97)(H,84,95)(H,85,103)(H,86,98)(H,87,100)(H,88,104)(H,89,102)(H,90,101)(H,91,99)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t41-,47-,48-,49-,50-,51-,52-,53-,54-,55-,57-/m0/s1
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PubMed
n/an/a 8.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]U-69,539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
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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n/an/a 9.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor in guinea pig brain by [3H]-DAMGO displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50036267
PNG
(CHEMBL268874 | Dyn A(H-Tyr-Gly-Gly-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)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OC)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/c1-6-38(4)52(60(96)83-46(21-14-30-76-64(72)73)61(97)86-31-15-22-49(86)59(95)80-43(53(67)89)18-10-11-27-65)85-56(92)45(20-13-29-75-63(70)71)81-55(91)44(19-12-28-74-62(68)69)82-57(93)47(32-37(2)3)84-58(94)48(34-39-16-8-7-9-17-39)79-51(88)36-77-50(87)35-78-54(90)42(66)33-40-23-25-41(98-5)26-24-40/h7-9,16-17,23-26,37-38,42-49,52H,6,10-15,18-22,27-36,65-66H2,1-5H3,(H2,67,89)(H,77,87)(H,78,90)(H,79,88)(H,80,95)(H,81,91)(H,82,93)(H,83,96)(H,84,94)(H,85,92)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t38-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 in guinea pig brain using [3H]-DAMGO as radioligand.


J Med Chem 38: 585-6 (1995)


BindingDB Entry DOI: 10.7270/Q2NP23F7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50051169
PNG
(CHEMBL409974 | Cyclic Lactam Peptide Analogues of ...)
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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n/an/a 9.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain membrane homogenates


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
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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n/an/a 9.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]-DAMGO at Opioid receptor mu 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50051180
PNG
(CHEMBL387083 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C61H96N20O13/c1-3-35(2)50-58(93)79-45(59(94)81-29-13-20-46(81)57(92)75-40(51(64)86)16-7-9-25-62)32-47(83)69-26-10-8-17-41(53(88)76-42(18-11-27-70-60(65)66)54(89)77-43(55(90)80-50)19-12-28-71-61(67)68)78-56(91)44(31-36-14-5-4-6-15-36)74-49(85)34-72-48(84)33-73-52(87)39(63)30-37-21-23-38(82)24-22-37/h4-6,14-15,21-24,35,39-46,50,82H,3,7-13,16-20,25-34,62-63H2,1-2H3,(H2,64,86)(H,69,83)(H,72,84)(H,73,87)(H,74,85)(H,75,92)(H,76,88)(H,77,89)(H,78,91)(H,79,93)(H,80,90)(H4,65,66,70)(H4,67,68,71)/t35-,39-,40-,41-,42-,43+,44-,45+,46+,50-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain membrane homogenates


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50453445
PNG
(CHEMBL2112652)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C59H93N21O12S2/c1-3-33(2)47-55(91)76-40(15-9-23-70-59(66)67)56(92)80-24-10-16-44(80)54(90)77-42(48(61)84)31-93-25-26-94-32-43(53(89)75-38(13-7-21-68-57(62)63)50(86)74-39(51(87)79-47)14-8-22-69-58(64)65)78-52(88)41(28-34-11-5-4-6-12-34)73-46(83)30-71-45(82)29-72-49(85)37(60)27-35-17-19-36(81)20-18-35/h4-6,11-12,17-20,33,37-44,47,81H,3,7-10,13-16,21-32,60H2,1-2H3,(H2,61,84)(H,71,82)(H,72,85)(H,73,83)(H,74,86)(H,75,89)(H,76,91)(H,77,90)(H,78,88)(H,79,87)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47-/m0/s1
PDB

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n/an/a 12n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor in guinea pig brain by [3H]-DAMGO displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50051178
PNG
(CHEMBL413011 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)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/C65H104N20O13/c1-5-38(4)53(62(97)81-46(21-14-30-75-65(71)72)63(98)85-31-15-22-50(85)61(96)78-43(54(68)89)18-9-11-27-66)84-58(93)45(20-13-29-74-64(69)70)79-57(92)44-19-10-12-28-73-51(87)35-49(82-55(90)42(67)33-40-23-25-41(86)26-24-40)56(91)76-36-52(88)77-48(34-39-16-7-6-8-17-39)60(95)83-47(32-37(2)3)59(94)80-44/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-67H2,1-4H3,(H2,68,89)(H,73,87)(H,76,91)(H,77,88)(H,78,96)(H,79,92)(H,80,94)(H,81,97)(H,82,90)(H,83,95)(H,84,93)(H4,69,70,74)(H4,71,72,75)/t38-,42-,43+,44-,45-,46-,47-,48+,49-,50+,53-/m0/s1
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PubMed
n/an/a 12n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]c[D-Pen2,p-Cl-Phe4,D-Pen5]enkephalin binding to delta opioid receptor of guinea pig brain plasma membrane homogenates


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50453445
PNG
(CHEMBL2112652)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C59H93N21O12S2/c1-3-33(2)47-55(91)76-40(15-9-23-70-59(66)67)56(92)80-24-10-16-44(80)54(90)77-42(48(61)84)31-93-25-26-94-32-43(53(89)75-38(13-7-21-68-57(62)63)50(86)74-39(51(87)79-47)14-8-22-69-58(64)65)78-52(88)41(28-34-11-5-4-6-12-34)73-46(83)30-71-45(82)29-72-49(85)37(60)27-35-17-19-36(81)20-18-35/h4-6,11-12,17-20,33,37-44,47,81H,3,7-10,13-16,21-32,60H2,1-2H3,(H2,61,84)(H,71,82)(H,72,85)(H,73,83)(H,74,86)(H,75,89)(H,76,91)(H,77,90)(H,78,88)(H,79,87)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor in guinea pig brain by [3H]c[D-Pen2, p-Cl-Phe4, D-Pen5]-enkephalin displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50038013
PNG
(CHEMBL374268 | Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-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)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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n/an/a 15n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50038007
PNG
(CHEMBL2370626 | Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-Ar...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C59H93N21O12S2/c1-3-33(2)47-55(91)76-40(15-9-23-70-59(66)67)56(92)80-24-10-16-44(80)54(90)77-42(48(61)84)31-93-25-26-94-32-43(53(89)75-38(13-7-21-68-57(62)63)50(86)74-39(51(87)79-47)14-8-22-69-58(64)65)78-52(88)41(28-34-11-5-4-6-12-34)73-46(83)30-71-45(82)29-72-49(85)37(60)27-35-17-19-36(81)20-18-35/h4-6,11-12,17-20,33,37-44,47,81H,3,7-10,13-16,21-32,60H2,1-2H3,(H2,61,84)(H,71,82)(H,72,85)(H,73,83)(H,74,86)(H,75,89)(H,76,91)(H,77,90)(H,78,88)(H,79,87)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42-,43+,44-,47+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50038020
PNG
(CHEMBL2370618 | Tyr-Gly-Gly-Phe-D-Cys-Arg-Arg-Ile-...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-56(93)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)55(92)81-48(49(63)86)61(3,4)96-28-27-95-33-43(54(91)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)79-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,91)(H,78,93)(H,79,90)(H,80,89)(H,81,92)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39-,40-,41-,42-,43-,44-,47-,48-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor in guinea pig brain by [3H]c[D-Pen2, p-Cl-Phe4, D-Pen5]-enkephalin displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50038016
PNG
(CHEMBL2370611 | Tyr-Gly-Gly-Phe-D-Cys-Arg-Arg-Ile-...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-56(93)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)55(92)81-48(49(63)86)61(3,4)96-28-27-95-33-43(54(91)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)79-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,91)(H,78,93)(H,79,90)(H,80,89)(H,81,92)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39-,40-,41-,42-,43-,44-,47-,48+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor in guinea pig brain by [3H]-DAMGO displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50038006
PNG
(CHEMBL404929 | Tyr-Gly-Gly-Phe-D-Pen-Arg-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SCCSC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-55(92)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)54(91)79-43(49(63)86)33-95-27-28-96-61(3,4)48(56(93)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)81-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,93)(H,78,92)(H,79,91)(H,80,89)(H,81,90)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39+,40-,41-,42-,43-,44+,47+,48+/m0/s1
PDB

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n/an/a 18n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051179
PNG
(CHEMBL412580 | Cyclic Lactam Peptide Analogues of ...)
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](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CC(O)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H98N20O14/c1-3-35(2)50(58(94)79-45(32-49(85)86)59(95)81-29-13-20-46(81)57(93)75-40(51(65)87)16-7-9-25-62)80-55(91)43(19-12-28-71-61(68)69)77-54(90)42(18-11-27-70-60(66)67)76-53(89)41(17-8-10-26-63)78-56(92)44(31-36-14-5-4-6-15-36)74-48(84)34-72-47(83)33-73-52(88)39(64)30-37-21-23-38(82)24-22-37/h4-6,14-15,21-24,35,39-46,50,82H,3,7-13,16-20,25-34,62-64H2,1-2H3,(H2,65,87)(H,72,83)(H,73,88)(H,74,84)(H,75,93)(H,76,89)(H,77,90)(H,78,92)(H,79,94)(H,80,91)(H,85,86)(H4,66,67,70)(H4,68,69,71)/t35-,39-,40+,41-,42-,43-,44-,45+,46+,50-/m0/s1
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PubMed
n/an/a 18n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to Opioid receptor kappa 1 of plasma membrane homogenates of guinea pig brain


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50038019
PNG
(CHEMBL411338 | Tyr-Gly-Gly-Phe-D-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(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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n/an/a 19n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor in guinea pig brain by [3H]c[D-Pen2, p-Cl-Phe4, D-Pen5]-enkephalin displacement.


J Med Chem 37: 3910-7 (1994)


BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051593
PNG
(CHEMBL438034 | Dynorphin A analogues)
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](Cc1ccc(O)cc1)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/C70H110N22O13/c1-5-41(4)57(66(104)88-51(20-13-33-82-70(78)79)67(105)92-34-14-21-55(92)65(103)85-48(58(73)96)17-9-10-30-71)91-61(99)50(19-12-32-81-69(76)77)86-60(98)49(18-11-31-80-68(74)75)87-62(100)52(35-40(2)3)89-64(102)54(37-42-15-7-6-8-16-42)90-63(101)53(38-44-24-28-46(94)29-25-44)84-56(95)39-83-59(97)47(72)36-43-22-26-45(93)27-23-43/h6-8,15-16,22-29,40-41,47-55,57,93-94H,5,9-14,17-21,30-39,71-72H2,1-4H3,(H2,73,96)(H,83,97)(H,84,95)(H,85,103)(H,86,98)(H,87,100)(H,88,104)(H,89,102)(H,90,101)(H,91,99)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t41-,47-,48-,49-,50-,51-,52-,53+,54-,55-,57-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]U-69,539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Growth factor receptor-bound protein 2


(Homo sapiens (Human))
BDBM50080122
PNG
(CHEMBL407859 | Cyclo peptide analogue)
Show SMILES CSCC[C@H]1NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)CSC[C@@H](NC(=O)[C@@H](Cc2ccc(OP(O)(O)=O)cc2)NC1=O)C(N)=O)C(C)C
Show InChI InChI=1S/C53H77N12O19PS2/c1-26(2)19-35-49(76)62-36(20-29-7-11-31(66)12-8-29)50(77)59-33(15-16-43(70)71)47(74)63-38(22-40(54)67)52(79)65-44(27(3)4)53(80)56-23-41(68)58-34(17-18-86-6)48(75)61-37(21-30-9-13-32(14-10-30)84-85(81,82)83)51(78)64-39(45(55)72)24-87-25-42(69)57-28(5)46(73)60-35/h7-14,26-28,33-39,44,66H,15-25H2,1-6H3,(H2,54,67)(H2,55,72)(H,56,80)(H,57,69)(H,58,68)(H,59,77)(H,60,73)(H,61,75)(H,62,76)(H,63,74)(H,64,78)(H,65,79)(H,70,71)(H2,81,82,83)/t28-,33-,34-,35-,36-,37-,38-,39-,44-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Growth factor receptor bound protein 2


Bioorg Med Chem Lett 9: 2267-72 (1999)


BindingDB Entry DOI: 10.7270/Q2VH5N1R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051172
PNG
(CHEMBL386170 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)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/C65H104N20O13/c1-5-38(4)53(62(97)81-46(21-14-30-75-65(71)72)63(98)85-31-15-22-50(85)61(96)78-43(54(68)89)18-9-11-27-66)84-57(92)44-19-10-12-28-73-51(87)35-49(77-52(88)36-76-55(90)42(67)33-40-23-25-41(86)26-24-40)60(95)83-48(34-39-16-7-6-8-17-39)59(94)82-47(32-37(2)3)58(93)80-45(56(91)79-44)20-13-29-74-64(69)70/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-67H2,1-4H3,(H2,68,89)(H,73,87)(H,76,90)(H,77,88)(H,78,96)(H,79,91)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,92)(H4,69,70,74)(H4,71,72,75)/t38-,42-,43+,44+,45+,46-,47-,48+,49+,50+,53-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to Opioid receptor kappa 1 of plasma membrane homogenates of guinea pig brain


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
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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n/an/a 25.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor delta 1 was determined by evaluating the inhibitory activity towards electrically stimulated mouse vas def...


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
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