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Compile Data Set for Download or QSAR

Found 580 hits of ic50 data for polymerid = 2124   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50035476
PNG
(CHEMBL413530 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)12-15-7-8-18(22)19(23)11-15)20(14-26-9-2-3-10-26)16-5-4-6-17(24)13-16/h4-8,11,13,20H,2-3,9-10,12,14,24H2,1H3/t20-/m1/s1
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PubMed
n/an/a 0.000320n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity kappa opioid receptor in guinea pig brain membranes; using 1 nM [3H]-U69,593 as radioligand


J Med Chem 37: 4490-8 (1995)


Article DOI: 10.1021/jm00052a008
BindingDB Entry DOI: 10.7270/Q2MW2G5Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040125
PNG
(CHEMBL438274 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-c(Cys-A...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
Show InChI InChI=1S/C69H111N23O15S2/c1-38(2)30-48(89-62(102)50(33-40-14-6-5-7-15-40)83-55(95)35-81-54(94)34-82-56(96)43(71)32-41-21-23-42(93)24-22-41)60(100)85-45(17-10-26-78-67(72)73)57(97)84-46(18-11-27-79-68(74)75)59(99)90-51-36-108-109-37-52(66(106)107)91-61(101)49(31-39(3)4)88-58(98)44(16-8-9-25-70)86-64(104)53-20-13-29-92(53)65(105)47(87-63(51)103)19-12-28-80-69(76)77/h5-7,14-15,21-24,38-39,43-53,93H,8-13,16-20,25-37,70-71H2,1-4H3,(H,81,94)(H,82,96)(H,83,95)(H,84,97)(H,85,100)(H,86,104)(H,87,103)(H,88,98)(H,89,102)(H,90,99)(H,91,101)(H,106,107)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,44-,45-,46-,47-,48-,49+,50-,51-,52+,53+/m0/s1
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PubMed
n/an/a 0.0350n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


Article DOI: 10.1021/jm00058a012
BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040126
PNG
(CHEMBL265241 | Tyr-Gly-Gly-Phe-leu-c(Cys-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H92N18O13S2/c1-5-33(4)47-55(87)71-38(16-11-23-65-57(61)62)49(81)74-44(54(86)72-40(56(88)89)15-9-10-22-59)31-91-90-30-43(53(85)70-39(50(82)76-47)17-12-24-66-58(63)64)75-51(83)41(25-32(2)3)73-52(84)42(27-34-13-7-6-8-14-34)69-46(79)29-67-45(78)28-68-48(80)37(60)26-35-18-20-36(77)21-19-35/h6-8,13-14,18-21,32-33,37-44,47,77H,5,9-12,15-17,22-31,59-60H2,1-4H3,(H,67,78)(H,68,80)(H,69,79)(H,70,85)(H,71,87)(H,72,86)(H,73,84)(H,74,81)(H,75,83)(H,76,82)(H,88,89)(H4,61,62,65)(H4,63,64,66)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
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PubMed
n/an/a 0.0470n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


Article DOI: 10.1021/jm00058a012
BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010703
PNG
(CHEMBL443068 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Cys-A...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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PubMed
n/an/a 0.0740n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
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
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PubMed
n/an/a 0.0770n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040123
PNG
(CHEMBL438223 | HTry-Gly-Gly-Phe-Leu-Arg-Arg-lle-Ar...)
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)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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PubMed
n/an/a 0.0770n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


Article DOI: 10.1021/jm00058a012
BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010701
PNG
(CHEMBL410616 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-Cys...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51+,52+,53-/m0/s1
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Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

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UniChem
Article
PubMed
n/an/a 0.114n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


Article DOI: 10.1021/jm00058a012
BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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
PDB

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Article
PubMed
n/an/a 0.114n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040131
PNG
(CHEMBL409793 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-c((D-Cy...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C69H112N24O15S2/c1-39(2)32-49(90-61(102)50(34-40-14-4-3-5-15-40)84-55(96)36-82-54(95)35-83-56(97)43(72)33-41-22-24-42(94)25-23-41)60(101)86-45(18-10-28-79-67(73)74)57(98)85-46(19-11-29-80-68(75)76)59(100)91-51-37-109-110-38-52(63(104)89-48(66(107)108)17-7-9-27-71)92-58(99)44(16-6-8-26-70)87-64(105)53-21-13-31-93(53)65(106)47(88-62(51)103)20-12-30-81-69(77)78/h3-5,14-15,22-25,39,43-53,94H,6-13,16-21,26-38,70-72H2,1-2H3,(H,82,95)(H,83,97)(H,84,96)(H,85,98)(H,86,101)(H,87,105)(H,88,103)(H,89,104)(H,90,102)(H,91,100)(H,92,99)(H,107,108)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44+,45-,46-,47+,48-,49-,50-,51+,52-,53-/m0/s1
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Article
PubMed
n/an/a 0.116n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


Article DOI: 10.1021/jm00058a012
BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50369224
PNG
(CHEMBL1907787)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=S)N=C2C=CC(C(=C2)C(O)=O)=C2c3ccc(O)cc3Oc3cc(O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C50H48Cl2N8O10S/c1-59(47(67)18-28-7-14-38(51)39(52)17-28)40(27-60-15-2-3-16-60)29-5-4-6-30(19-29)57-46(66)26-55-44(64)24-53-43(63)23-54-45(65)25-56-50(71)58-31-8-11-34(37(20-31)49(68)69)48-35-12-9-32(61)21-41(35)70-42-22-33(62)10-13-36(42)48/h4-14,17,19-22,40,61-62H,2-3,15-16,18,23-27H2,1H3,(H,53,63)(H,54,65)(H,55,64)(H,56,71)(H,57,66)(H,68,69)/t40-/m1/s1
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n/an/a 0.150n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation.


J Med Chem 39: 1729-35 (1996)


Article DOI: 10.1021/jm950813b
BindingDB Entry DOI: 10.7270/Q27S7PFG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50033141
PNG
(CHEMBL2370494 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Lys*-Ile...)
Show SMILES CC[C@H](C)[C@H](NC[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H106N20O11/c1-5-39(4)53(60(93)81-47(21-14-30-73-63(70)71)61(94)83-31-15-22-50(83)59(92)79-45(54(67)87)19-10-12-28-65)75-35-42(18-9-11-27-64)77-56(89)46(20-13-29-72-62(68)69)80-57(90)48(32-38(2)3)82-58(91)49(34-40-16-7-6-8-17-40)78-52(86)37-74-51(85)36-76-55(88)44(66)33-41-23-25-43(84)26-24-41/h6-8,16-17,23-26,38-39,42,44-50,53,75,84H,5,9-15,18-22,27-37,64-66H2,1-4H3,(H2,67,87)(H,74,85)(H,76,88)(H,77,89)(H,78,86)(H,79,92)(H,80,90)(H,81,93)(H,82,91)(H4,68,69,72)(H4,70,71,73)/t39-,42-,44-,45-,46-,47-,48-,49-,50-,53-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of Guinea pig brain homogenate using [3H]U-69,593


J Med Chem 38: 3462-8 (1995)


Article DOI: 10.1021/jm00018a006
BindingDB Entry DOI: 10.7270/Q2QZ291Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50035476
PNG
(CHEMBL413530 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)12-15-7-8-18(22)19(23)11-15)20(14-26-9-2-3-10-26)16-5-4-6-17(24)13-16/h4-8,11,13,20H,2-3,9-10,12,14,24H2,1H3/t20-/m1/s1
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n/an/a 0.170n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation.


J Med Chem 39: 1729-35 (1996)


Article DOI: 10.1021/jm950813b
BindingDB Entry DOI: 10.7270/Q27S7PFG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50369223
PNG
(CHEMBL1907788)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=O)CNC(=S)N=C2C=CC(C(=C2)C(O)=O)=C2c3ccc(O)cc3Oc3cc(O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C44H39Cl2N5O7S/c1-50(41(55)18-25-7-14-35(45)36(46)17-25)37(24-51-15-2-3-16-51)26-5-4-6-27(19-26)48-40(54)23-47-44(59)49-28-8-11-31(34(20-28)43(56)57)42-32-12-9-29(52)21-38(32)58-39-22-30(53)10-13-33(39)42/h4-14,17,19-22,37,52-53H,2-3,15-16,18,23-24H2,1H3,(H,47,59)(H,48,54)(H,56,57)/t37-/m1/s1
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n/an/a 0.170n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation.


J Med Chem 39: 1729-35 (1996)


Article DOI: 10.1021/jm950813b
BindingDB Entry DOI: 10.7270/Q27S7PFG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040132
PNG
(CHEMBL411196 | Tyr-Gly-Gly-Phe-c(Cys-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](CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C69H111N23O15S2/c1-5-39(4)55-64(104)87-47(20-13-29-80-69(76)77)65(105)92-30-14-21-52(92)63(103)86-44(17-9-10-26-70)58(98)88-48(31-38(2)3)60(100)90-51(66(106)107)37-109-108-36-50(62(102)85-45(18-11-27-78-67(72)73)57(97)84-46(59(99)91-55)19-12-28-79-68(74)75)89-61(101)49(33-40-15-7-6-8-16-40)83-54(95)35-81-53(94)34-82-56(96)43(71)32-41-22-24-42(93)25-23-41/h6-8,15-16,22-25,38-39,43-52,55,93H,5,9-14,17-21,26-37,70-71H2,1-4H3,(H,81,94)(H,82,96)(H,83,95)(H,84,97)(H,85,102)(H,86,103)(H,87,104)(H,88,98)(H,89,101)(H,90,100)(H,91,99)(H,106,107)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t39-,43-,44-,45+,46-,47-,48+,49-,50+,51+,52-,55+/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


Article DOI: 10.1021/jm00058a012
BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010702
PNG
(CHEMBL411557 | DYNORPHIN(1-17)-OH | Dynorphin A (1...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(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](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1
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n/an/a 0.231n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


Article DOI: 10.1021/jm00058a012
BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010702
PNG
(CHEMBL411557 | DYNORPHIN(1-17)-OH | Dynorphin A (1...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(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](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1
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n/an/a 0.231n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50033143
PNG
(CHEMBL216640 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Lys-Ile*-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=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 0.240n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of Guinea pig brain homogenate using [3H]U-69,593


J Med Chem 38: 3462-8 (1995)


Article DOI: 10.1021/jm00018a006
BindingDB Entry DOI: 10.7270/Q2QZ291Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50286106
PNG
(CHEMBL321570 | Morphinan Cyclic Imine analogue)
Show SMILES COC12C=CC34C[C@@]1(C)[C@@H](N[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1
Show InChI InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22?,23-,24-,25-,26?,27?,28?/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]-U-69,593 from Opioid receptor kappa 1 in hartley guinea pig brain membrane in the presence of 10...


Bioorg Med Chem Lett 5: 2969-2974 (1995)


Article DOI: 10.1016/0960-894X(95)00522-1
BindingDB Entry DOI: 10.7270/Q24F1QQT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002346
PNG
(CHEMBL384584 | [D-pro10]Dynorphin A(1-11))
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)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 using [3H]-diprenorphine as radioligand in guinea pig cerebellar membrane in absence...


J Med Chem 40: 2733-9 (1997)


Article DOI: 10.1021/jm960747t
BindingDB Entry DOI: 10.7270/Q2D50M2D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007344
PNG
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
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n/an/a 0.270n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation.


J Med Chem 39: 1729-35 (1996)


Article DOI: 10.1021/jm950813b
BindingDB Entry DOI: 10.7270/Q27S7PFG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010705
PNG
(CHEMBL385759 | H-Tyr-Gly-Gly-Phe-Cys-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](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H89N21O12S2/c1-3-31(2)45-53(89)74-38(15-9-23-68-57(64)65)54(90)78-24-10-16-42(78)52(88)75-40(46(59)82)29-91-92-30-41(51(87)73-36(13-7-21-66-55(60)61)48(84)72-37(49(85)77-45)14-8-22-67-56(62)63)76-50(86)39(26-32-11-5-4-6-12-32)71-44(81)28-69-43(80)27-70-47(83)35(58)25-33-17-19-34(79)20-18-33/h4-6,11-12,17-20,31,35-42,45,79H,3,7-10,13-16,21-30,58H2,1-2H3,(H2,59,82)(H,69,80)(H,70,83)(H,71,81)(H,72,84)(H,73,87)(H,74,89)(H,75,88)(H,76,86)(H,77,85)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,45-/m0/s1
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n/an/a 0.285n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096787
PNG
(CHEMBL3580749)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-39(55)33(17-24-11-12-25(40)18-28(24)41)48-38(54)32(47-37(30)53)16-23-8-4-3-5-9-23/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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n/an/a 0.303n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 18: 6398-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.081
BindingDB Entry DOI: 10.7270/Q2DN45Z1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50245894
PNG
(CHEMBL461313 | N-{[(1R,9S,10S,13R)-17-(cyclopropyl...)
Show SMILES Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1
Show InChI InChI=1S/C28H32N2O3/c31-22-9-8-21-14-24-28-11-10-26(33-28,18-29-25(32)20-4-2-1-3-5-20)17-27(28,23(21)15-22)12-13-30(24)16-19-6-7-19/h1-5,8-9,15,19,24,31H,6-7,10-14,16-18H2,(H,29,32)/t24-,26+,27+,28+/m0/s1
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n/an/a 0.303n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 18: 6398-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.081
BindingDB Entry DOI: 10.7270/Q2DN45Z1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50033139
PNG
(CHEMBL2370495 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Lys-Ile*...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)CN1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H106N20O11/c1-5-39(4)53(61(94)76-42(18-9-11-27-64)37-83-31-15-22-50(83)60(93)78-45(54(67)87)19-10-12-28-65)82-57(90)47(21-14-30-73-63(70)71)79-56(89)46(20-13-29-72-62(68)69)80-58(91)48(32-38(2)3)81-59(92)49(34-40-16-7-6-8-17-40)77-52(86)36-74-51(85)35-75-55(88)44(66)33-41-23-25-43(84)26-24-41/h6-8,16-17,23-26,38-39,42,44-50,53,84H,5,9-15,18-22,27-37,64-66H2,1-4H3,(H2,67,87)(H,74,85)(H,75,88)(H,76,94)(H,77,86)(H,78,93)(H,79,89)(H,80,91)(H,81,92)(H,82,90)(H4,68,69,72)(H4,70,71,73)/t39-,42-,44-,45-,46-,47-,48-,49-,50-,53-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of Guinea pig brain homogenate using [3H]U-69,593


J Med Chem 38: 3462-8 (1995)


Article DOI: 10.1021/jm00018a006
BindingDB Entry DOI: 10.7270/Q2QZ291Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50369225
PNG
(CHEMBL1907786)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C42H36Cl2N4O6S/c1-47(39(51)18-24-7-14-34(43)35(44)17-24)36(23-48-15-2-3-16-48)25-5-4-6-26(19-25)45-42(55)46-27-8-11-30(33(20-27)41(52)53)40-31-12-9-28(49)21-37(31)54-38-22-29(50)10-13-32(38)40/h4-14,17,19-22,36,49H,2-3,15-16,18,23H2,1H3,(H,52,53)(H2,45,46,55)/t36-/m1/s1
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n/an/a 0.370n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation.


J Med Chem 39: 1729-35 (1996)


Article DOI: 10.1021/jm950813b
BindingDB Entry DOI: 10.7270/Q27S7PFG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010700
PNG
(CHEMBL265824 | H-Tyr-Gly-Gly-Phe-Cys-Arg-Arg-D-Ala...)
Show SMILES C[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H83N21O12S2/c1-29-44(80)72-36(13-7-21-65-54(61)62)51(87)75-22-8-14-40(75)50(86)73-38(43(56)79)27-88-89-28-39(49(85)71-35(12-6-20-64-53(59)60)47(83)70-34(46(82)68-29)11-5-19-63-52(57)58)74-48(84)37(24-30-9-3-2-4-10-30)69-42(78)26-66-41(77)25-67-45(81)33(55)23-31-15-17-32(76)18-16-31/h2-4,9-10,15-18,29,33-40,76H,5-8,11-14,19-28,55H2,1H3,(H2,56,79)(H,66,77)(H,67,81)(H,68,82)(H,69,78)(H,70,83)(H,71,85)(H,72,80)(H,73,86)(H,74,84)(H4,57,58,63)(H4,59,60,64)(H4,61,62,65)/t29-,33+,34+,35+,36+,37+,38+,39+,40+/m1/s1
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n/an/a 0.391n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50248793
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C29H32N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,8-11,19,21,23,27,32,34H,6-7,12-17H2,(H,30,33)/b11-8+/t21-,23-,27+,28+,29-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for kappa opioid receptor mediated agonistic effect in electrically stimulated guinea-pig ileum


Bioorg Med Chem Lett 6: 167-172 (1996)


Article DOI: 10.1016/0960-894X(95)00583-F
BindingDB Entry DOI: 10.7270/Q2QJ7H83
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50059585
PNG
(CHEMBL442323 | N-CPM[D-Pro-10]Dyn A-(1-11))
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](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C67H109N21O13/c1-5-40(4)55(62(98)84-47(20-13-31-77-67(73)74)63(99)88-32-14-21-52(88)61(97)85-48(64(100)101)17-9-10-28-68)87-58(94)46(19-12-30-76-66(71)72)82-57(93)45(18-11-29-75-65(69)70)83-59(95)50(33-39(2)3)86-60(96)51(35-41-15-7-6-8-16-41)81-54(91)38-79-53(90)37-80-56(92)49(78-36-43-22-23-43)34-42-24-26-44(89)27-25-42/h6-8,15-16,24-27,39-40,43,45-52,55,78,89H,5,9-14,17-23,28-38,68H2,1-4H3,(H,79,90)(H,80,92)(H,81,91)(H,82,93)(H,83,95)(H,84,98)(H,85,97)(H,86,96)(H,87,94)(H,100,101)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,45-,46-,47-,48-,49-,50-,51-,52-,55-/m0/s1
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n/an/a 0.410n/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 using [3H]-diprenorphine as radioligand in guinea pig cerebellar membrane in absence...


J Med Chem 40: 2733-9 (1997)


Article DOI: 10.1021/jm960747t
BindingDB Entry DOI: 10.7270/Q2D50M2D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040130
PNG
(CHEMBL415406 | Tyr-Gly-Gly-Phe-c(Cys-Arg-Arg-Ile-C...)
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](CSSC[C@@H](NC1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H93N21O13S2/c1-3-32(2)46-54(90)78-43(53(89)75-38(16-10-24-68-57(63)64)49(85)76-40(55(91)92)14-7-8-22-59)31-94-93-30-42(52(88)74-37(15-9-23-67-56(61)62)48(84)73-39(50(86)79-46)17-11-25-69-58(65)66)77-51(87)41(27-33-12-5-4-6-13-33)72-45(82)29-70-44(81)28-71-47(83)36(60)26-34-18-20-35(80)21-19-34/h4-6,12-13,18-21,32,36-43,46,80H,3,7-11,14-17,22-31,59-60H2,1-2H3,(H,70,81)(H,71,83)(H,72,82)(H,73,84)(H,74,88)(H,75,89)(H,76,85)(H,77,87)(H,78,90)(H,79,86)(H,91,92)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t32-,36-,37+,38+,39-,40+,41-,42+,43+,46+/m0/s1
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n/an/a 0.420n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


Article DOI: 10.1021/jm00058a012
BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50430603
PNG
(CHEMBL2338735)
Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O
Show InChI InChI=1S/C28H39NO4/c1-4-9-25(2,31)20-15-26-10-11-28(20,32-3)24-27(26)12-13-29(16-17-5-6-17)21(26)14-18-7-8-19(30)23(33-24)22(18)27/h7-8,17,20-21,24,30-31H,4-6,9-16H2,1-3H3/t20-,21-,24-,25+,26-,27+,28-/m1/s1
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n/an/a 0.490n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand


J Med Chem 38: 570-9 (1995)


Article DOI: 10.1021/jm00003a020
BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50430602
PNG
(CHEMBL2338743)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C28H39NO4/c1-16(2)25(3,31)20-14-26-9-10-28(20,32-4)24-27(26)11-12-29(15-17-5-6-17)21(26)13-18-7-8-19(30)23(33-24)22(18)27/h7-8,16-17,20-21,24,30-31H,5-6,9-15H2,1-4H3/t20-,21-,24-,25-,26-,27+,28-/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50286103
PNG
(CHEMBL102092 | Morphinan Cyclic Imine analogue)
Show SMILES COC12C=CC34C[C@@]1(C)C(=N[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22,24,31H,13-15,17H2,1-3H3/t22?,24-,25-,26?,27?,28?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]-U-69,593 from Opioid receptor kappa 1 in hartley guinea pig brain membrane in the presence of 10...


Bioorg Med Chem Lett 5: 2969-2974 (1995)


Article DOI: 10.1016/0960-894X(95)00522-1
BindingDB Entry DOI: 10.7270/Q24F1QQT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50286105
PNG
(CHEMBL318636 | Morphinan Cyclic Imine analogue)
Show SMILES CO[C@]12C=C[C@]34C[C@@]1(C)[C@@H](N(C)[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1
Show InChI InChI=1S/C29H34N2O2/c1-26-18-27-12-13-29(26,33-4)25(31(3)24(26)19-8-6-5-7-9-19)28(27)14-15-30(2)23(27)16-20-10-11-21(32)17-22(20)28/h5-13,17,23-25,32H,14-16,18H2,1-4H3/t23?,24-,25-,26-,27+,28?,29-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]-U-69,593 from Opioid receptor kappa 1 in hartley guinea pig brain membrane in the presence of 10...


Bioorg Med Chem Lett 5: 2969-2974 (1995)


Article DOI: 10.1016/0960-894X(95)00522-1
BindingDB Entry DOI: 10.7270/Q24F1QQT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040124
PNG
(CHEMBL414494 | Tyr-Gly-Gly-Phe-c((L-Pen)-Arg-Arg-I...)
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)SSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
Show InChI InChI=1S/C59H92N20O13S2/c1-5-32(2)45-52(88)75-39(17-11-25-69-58(65)66)54(90)79-26-12-18-42(79)51(87)76-41(55(91)92)31-93-94-59(3,4)46(53(89)74-37(15-9-23-67-56(61)62)48(84)73-38(49(85)77-45)16-10-24-68-57(63)64)78-50(86)40(28-33-13-7-6-8-14-33)72-44(82)30-70-43(81)29-71-47(83)36(60)27-34-19-21-35(80)22-20-34/h6-8,13-14,19-22,32,36-42,45-46,80H,5,9-12,15-18,23-31,60H2,1-4H3,(H,70,81)(H,71,83)(H,72,82)(H,73,84)(H,74,89)(H,75,88)(H,76,87)(H,77,85)(H,78,86)(H,91,92)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t32-,36-,37+,38-,39-,40-,41+,42+,45+,46-/m0/s1
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n/an/a 0.522n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


Article DOI: 10.1021/jm00058a012
BindingDB Entry DOI: 10.7270/Q2K936K7
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
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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)


Article DOI: 10.1021/jm00049a010
BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/a 0.530n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the binding affinity against the Kappa opioid receptor in guinea pig brain using [3H]U-69593


J Med Chem 37: 4270-7 (1995)


Article DOI: 10.1021/jm00051a003
BindingDB Entry DOI: 10.7270/Q2NV9JVC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50151753
PNG
(1N-[6-carbamoyl-9-(4-nitrobenzyl)-8,11,14-trioxo-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C28H35N7O8S2/c1-14-7-18(36)8-15(2)19(14)10-20(29)26(39)34-23-13-45-44-12-22(25(30)38)33-28(41)21(32-24(37)11-31-27(23)40)9-16-3-5-17(6-4-16)35(42)43/h3-8,20-23,36H,9-13,29H2,1-2H3,(H2,30,38)(H,31,40)(H,32,37)(H,33,41)(H,34,39)/t20-,21-,22+,23-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibitory concentration against Kappa opioid receptor of guinea pig ileum


Bioorg Med Chem Lett 14: 4731-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.077
BindingDB Entry DOI: 10.7270/Q2610ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096736
PNG
(CHEMBL3580748)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)33(19-25-11-13-26(40)14-12-25)47-39(54)32(46-37(30)52)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50453783
PNG
(CHEMBL2311023)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H106N22O11/c1-5-38(4)52(59(95)83-47(20-13-29-75-63(71)72)60(96)85-30-14-21-49(85)58(94)80-44(53(66)89)17-9-10-26-64)84-56(92)46(19-12-28-74-62(69)70)81-55(91)45(18-11-27-73-61(67)68)82-57(93)48(31-37(2)3)76-34-41(32-39-15-7-6-8-16-39)79-51(88)36-77-50(87)35-78-54(90)43(65)33-40-22-24-42(86)25-23-40/h6-8,15-16,22-25,37-38,41,43-49,52,76,86H,5,9-14,17-21,26-36,64-65H2,1-4H3,(H2,66,89)(H,77,87)(H,78,90)(H,79,88)(H,80,94)(H,81,91)(H,82,93)(H,83,95)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t38-,41-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of Guinea pig brain homogenate using [3H]U-69,593


J Med Chem 38: 3462-8 (1995)


Article DOI: 10.1021/jm00018a006
BindingDB Entry DOI: 10.7270/Q2QZ291Q
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
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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)


Article DOI: 10.1021/jm00004a002
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
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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
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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)


Article DOI: 10.1021/jm00049a010
BindingDB Entry DOI: 10.7270/Q22N51BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50033137
PNG
(CHEMBL2311022 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NCCNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H106N22O11/c1-5-38(4)51(59(95)82-46(20-13-29-77-63(71)72)60(96)85-32-14-21-49(85)58(94)79-43(52(66)88)17-9-10-26-64)84-55(91)45(19-12-28-76-62(69)70)80-54(90)44(18-11-27-75-61(67)68)81-57(93)48(33-37(2)3)83-56(92)47(35-39-15-7-6-8-16-39)73-30-31-74-50(87)36-78-53(89)42(65)34-40-22-24-41(86)25-23-40/h6-8,15-16,22-25,37-38,42-49,51,73,86H,5,9-14,17-21,26-36,64-65H2,1-4H3,(H2,66,88)(H,74,87)(H,78,89)(H,79,94)(H,80,90)(H,81,93)(H,82,95)(H,83,92)(H,84,91)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)/t38-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of Guinea pig brain homogenate using [3H]U-69,593


J Med Chem 38: 3462-8 (1995)


Article DOI: 10.1021/jm00018a006
BindingDB Entry DOI: 10.7270/Q2QZ291Q
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
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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))
BDBM50040133
PNG
(CHEMBL444626 | Tyr-Gly-Gly-Phe-c(Cys-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](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H93N21O13S2/c1-3-32(2)46-54(90)75-38(16-10-24-68-57(63)64)49(85)77-43(53(89)76-40(55(91)92)14-7-8-22-59)31-94-93-30-42(52(88)74-37(15-9-23-67-56(61)62)48(84)73-39(50(86)79-46)17-11-25-69-58(65)66)78-51(87)41(27-33-12-5-4-6-13-33)72-45(82)29-70-44(81)28-71-47(83)36(60)26-34-18-20-35(80)21-19-34/h4-6,12-13,18-21,32,36-43,46,80H,3,7-11,14-17,22-31,59-60H2,1-2H3,(H,70,81)(H,71,83)(H,72,82)(H,73,84)(H,74,88)(H,75,90)(H,76,89)(H,77,85)(H,78,87)(H,79,86)(H,91,92)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t32-,36-,37-,38+,39+,40-,41-,42+,43+,46-/m0/s1
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n/an/a 0.593n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


Article DOI: 10.1021/jm00058a012
BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096744
PNG
(CHEMBL3580746)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2F)NC1=O)C(N)=O
Show InChI InChI=1S/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-38(54)32(16-23-8-4-3-5-9-23)47-39(55)33(48-37(30)53)17-24-11-12-25(40)18-28(24)41/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,55)(H,48,53)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50092199
PNG
(CHEMBL3582487)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(42-34(49)27(39)18-23-11-15-26(46)16-12-23)35(50)44-30(37(52)45-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
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