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Compile Data Set for Download or QSAR

Found 11281 hits Enz. Inhib. hit(s) with Target = 'kappa opioid receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (human))
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
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0.000800n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity towards Wild-type kappa opioid receptor expressed in HEK cells


J Med Chem 43: 1251-2 (2001)


Article DOI: 10.1021/jm990583r
BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50366764
PNG
(CHEMBL1790045 | MCL-117)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
Show InChI InChI=1S/C19H23NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h1,6-7,13,16,18,21H,3-5,8-12H2/t16-,18+,19+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593


Bioorg Med Chem Lett 11: 2735-40 (2001)


Article DOI: 10.1016/s0960-894x(01)00543-1
BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50366764
PNG
(CHEMBL1790045 | MCL-117)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
Show InChI InChI=1S/C19H23NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h1,6-7,13,16,18,21H,3-5,8-12H2/t16-,18+,19+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)


Article DOI: 10.1021/jm050577x
BindingDB Entry DOI: 10.7270/Q2HQ40QF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002186
PNG
(CHEMBL440987 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Lys...)
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](CCCCNC(C)=O)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/C77H129N23O15/c1-8-47(6)64(74(114)96-57(25-14-17-35-86-48(7)101)75(115)100-38-20-28-61(100)73(113)95-54(24-13-16-34-79)68(108)97-58(39-45(2)3)70(110)92-53(65(81)105)23-12-15-33-78)99-69(109)56(27-19-37-88-77(84)85)93-67(107)55(26-18-36-87-76(82)83)94-71(111)59(40-46(4)5)98-72(112)60(42-49-21-10-9-11-22-49)91-63(104)44-89-62(103)43-90-66(106)52(80)41-50-29-31-51(102)32-30-50/h9-11,21-22,29-32,45-47,52-61,64,102H,8,12-20,23-28,33-44,78-80H2,1-7H3,(H2,81,105)(H,86,101)(H,89,103)(H,90,106)(H,91,104)(H,92,110)(H,93,107)(H,94,111)(H,95,113)(H,96,114)(H,97,108)(H,98,112)(H,99,109)(H4,82,83,87)(H4,84,85,88)/t47-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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0.00420n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- bremazocine to opioid receptor kappa of guinea pig cerebral membranes was determined


J Med Chem 35: 4330-3 (1992)


Article DOI: 10.1021/jm00101a010
BindingDB Entry DOI: 10.7270/Q2FB51W2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50102711
PNG
(7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)C1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25?,26+,28+/m0/s1
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0.00600n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist (U50,488) stimulated [35S]GTP-gamma-S, binding in cloned opioid receptor kappa 1


J Med Chem 44: 2687-90 (2001)


Article DOI: 10.1021/jm015521r
BindingDB Entry DOI: 10.7270/Q25T3M58
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002182
PNG
(CHEMBL415617 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Lys...)
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](CCCCN)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/C75H127N23O14/c1-7-46(6)62(72(111)94-55(24-13-16-34-78)73(112)98-37-19-27-59(98)71(110)93-52(23-12-15-33-77)66(105)95-56(38-44(2)3)68(107)90-51(63(80)102)22-11-14-32-76)97-67(106)54(26-18-36-86-75(83)84)91-65(104)53(25-17-35-85-74(81)82)92-69(108)57(39-45(4)5)96-70(109)58(41-47-20-9-8-10-21-47)89-61(101)43-87-60(100)42-88-64(103)50(79)40-48-28-30-49(99)31-29-48/h8-10,20-21,28-31,44-46,50-59,62,99H,7,11-19,22-27,32-43,76-79H2,1-6H3,(H2,80,102)(H,87,100)(H,88,103)(H,89,101)(H,90,107)(H,91,104)(H,92,108)(H,93,110)(H,94,111)(H,95,105)(H,96,109)(H,97,106)(H4,81,82,85)(H4,83,84,86)/t46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
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0.00670n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- bremazocine to opioid receptor kappa of guinea pig cerebral membranes was determined


J Med Chem 35: 4330-3 (1992)


Article DOI: 10.1021/jm00101a010
BindingDB Entry DOI: 10.7270/Q2FB51W2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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0.0100n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM199410
PNG
(US9221831, 75)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(cc1)C(N)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H38N2O5/c1-37-32-11-10-30(15-23(32)18-38-17-20-4-6-21(7-5-20)28(33)36)25-14-22-8-9-24(35)27-26(22)31(30,29(32)39-27)12-13-34(25)16-19-2-3-19/h4-9,19,23,25,29,35H,2-3,10-18H2,1H3,(H2,33,36)/t23-,25-,29-,30-,31+,32-/m1/s1
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0.0140n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50430590
PNG
(CHEMBL2338742)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H43NO4/c1-35-31-12-11-29(17-22(31)24(34)15-19-5-3-2-4-6-19)25-16-21-9-10-23(33)27-26(21)30(29,28(31)36-27)13-14-32(25)18-20-7-8-20/h9-10,19-20,22,24-25,28,33-34H,2-8,11-18H2,1H3/t22-,24-,25-,28-,29-,30+,31-/m1/s1
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0.0150n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human KOR expressed in CHO cells


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


(Homo sapiens (human))
BDBM50430589
PNG
(CHEMBL2338716)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H45NO4/c1-36-32-14-13-30(18-23(32)24(34)11-9-20-5-3-2-4-6-20)26-17-22-10-12-25(35)28-27(22)31(30,29(32)37-28)15-16-33(26)19-21-7-8-21/h10,12,20-21,23-24,26,29,34-35H,2-9,11,13-19H2,1H3/t23-,24-,26-,29-,30-,31+,32-/m1/s1
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0.0190n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human KOR expressed in CHO cells


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
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002347
PNG
(CHEMBL425806 | [N-cyclopropyl methylTyr1, D-pro10]...)
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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0.0200n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor kappa in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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0.0200n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Binding affinity to human cloned kappa opioid receptor expressed in HEK293 cells by radioligand displacement assay


J Med Chem 57: 5464-9 (2014)


Article DOI: 10.1021/jm500503k
BindingDB Entry DOI: 10.7270/Q2RB764T
More data for this
Ligand-Target Pair
mu/kappa 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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0.0200n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes


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


(Homo sapiens (human))
BDBM50430588
PNG
(CHEMBL2338717)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H37NO4/c1-35-31-12-11-29(17-22(31)24(34)15-19-5-3-2-4-6-19)25-16-21-9-10-23(33)27-26(21)30(29,28(31)36-27)13-14-32(25)18-20-7-8-20/h2-6,9-10,20,22,24-25,28,33-34H,7-8,11-18H2,1H3/t22-,24-,25-,28-,29-,30+,31-/m1/s1
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0.0200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human KOR expressed in CHO cells


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


(Homo sapiens (human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.0200n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102711
PNG
(7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)C1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25?,26+,28+/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of stimulation of [35S]GTP-gamma-S, binding produced by the selective agonist (U69593, kappa-receptor), in guinea pig caudate membranes.


J Med Chem 44: 2687-90 (2001)


Article DOI: 10.1021/jm015521r
BindingDB Entry DOI: 10.7270/Q25T3M58
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM199350
PNG
(US9221831, 15)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H36FNO3/c1-34-31-12-11-29(16-23(31)19-35-18-21-5-3-2-4-6-21)25-15-22-9-10-24(32)27-26(22)30(29,28(31)36-27)13-14-33(25)17-20-7-8-20/h2-6,9-10,20,23,25,28H,7-8,11-19H2,1H3/t23-,25-,28-,29-,30+,31-/m1/s1
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0.0200n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002181
PNG
(CHEMBL266717 | Tyr-Gly-Gly-Phe-Leu-Lys-Arg-Ile-Arg...)
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)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/C75H127N23O14/c1-7-46(6)62(72(111)94-55(26-18-36-86-75(83)84)73(112)98-37-19-27-59(98)71(110)93-53(24-13-16-34-78)66(105)95-56(38-44(2)3)68(107)90-51(63(80)102)22-11-14-32-76)97-67(106)54(25-17-35-85-74(81)82)91-65(104)52(23-12-15-33-77)92-69(108)57(39-45(4)5)96-70(109)58(41-47-20-9-8-10-21-47)89-61(101)43-87-60(100)42-88-64(103)50(79)40-48-28-30-49(99)31-29-48/h8-10,20-21,28-31,44-46,50-59,62,99H,7,11-19,22-27,32-43,76-79H2,1-6H3,(H2,80,102)(H,87,100)(H,88,103)(H,89,101)(H,90,107)(H,91,104)(H,92,108)(H,93,110)(H,94,111)(H,95,105)(H,96,109)(H,97,106)(H4,81,82,85)(H4,83,84,86)/t46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- bremazocine to opioid receptor kappa of guinea pig cerebral membranes was determined


J Med Chem 35: 4330-3 (1992)


Article DOI: 10.1021/jm00101a010
BindingDB Entry DOI: 10.7270/Q2FB51W2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor in guinea pig caudate assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002183
PNG
(CHEMBL266515 | Tyr-Gly-Gly-Phe-Leu-Arg-Lys-Ile-Arg...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)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/C75H127N23O14/c1-7-46(6)62(72(111)94-55(26-18-36-86-75(83)84)73(112)98-37-19-27-59(98)71(110)93-52(23-12-15-33-77)66(105)95-56(38-44(2)3)68(107)90-51(63(80)102)22-11-14-32-76)97-67(106)53(24-13-16-34-78)91-65(104)54(25-17-35-85-74(81)82)92-69(108)57(39-45(4)5)96-70(109)58(41-47-20-9-8-10-21-47)89-61(101)43-87-60(100)42-88-64(103)50(79)40-48-28-30-49(99)31-29-48/h8-10,20-21,28-31,44-46,50-59,62,99H,7,11-19,22-27,32-43,76-79H2,1-6H3,(H2,80,102)(H,87,100)(H,88,103)(H,89,101)(H,90,107)(H,91,104)(H,92,108)(H,93,110)(H,94,111)(H,95,105)(H,96,109)(H,97,106)(H4,81,82,85)(H4,83,84,86)/t46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- bremazocine to opioid receptor kappa of guinea pig cerebral membranes was determined


J Med Chem 35: 4330-3 (1992)


Article DOI: 10.1021/jm00101a010
BindingDB Entry DOI: 10.7270/Q2FB51W2
More data for this
Ligand-Target Pair
mu/kappa 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
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0.0230n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- bremazocine to opioid receptor kappa of guinea pig cerebral membranes was determined


J Med Chem 35: 4330-3 (1992)


Article DOI: 10.1021/jm00101a010
BindingDB Entry DOI: 10.7270/Q2FB51W2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002185
PNG
(CHEMBL438741 | Tyr-Gly-Gly-Phe-Leu-Lys(Ac)-Arg-Ile...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(C)=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)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/C77H129N23O15/c1-8-47(6)64(74(114)96-57(27-19-37-88-77(84)85)75(115)100-38-20-28-61(100)73(113)95-55(24-13-16-34-79)68(108)97-58(39-45(2)3)70(110)92-53(65(81)105)23-12-15-33-78)99-69(109)56(26-18-36-87-76(82)83)93-67(107)54(25-14-17-35-86-48(7)101)94-71(111)59(40-46(4)5)98-72(112)60(42-49-21-10-9-11-22-49)91-63(104)44-89-62(103)43-90-66(106)52(80)41-50-29-31-51(102)32-30-50/h9-11,21-22,29-32,45-47,52-61,64,102H,8,12-20,23-28,33-44,78-80H2,1-7H3,(H2,81,105)(H,86,101)(H,89,103)(H,90,106)(H,91,104)(H,92,110)(H,93,107)(H,94,111)(H,95,113)(H,96,114)(H,97,108)(H,98,112)(H,99,109)(H4,82,83,87)(H4,84,85,88)/t47-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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0.0240n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- bremazocine to opioid receptor kappa of guinea pig cerebral membranes was determined


J Med Chem 35: 4330-3 (1992)


Article DOI: 10.1021/jm00101a010
BindingDB Entry DOI: 10.7270/Q2FB51W2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50430615
PNG
(CHEMBL2338718)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H39NO4/c1-36-32-14-13-30(18-23(32)24(34)11-9-20-5-3-2-4-6-20)26-17-22-10-12-25(35)28-27(22)31(30,29(32)37-28)15-16-33(26)19-21-7-8-21/h2-6,10,12,21,23-24,26,29,34-35H,7-9,11,13-19H2,1H3/t23-,24-,26-,29-,30-,31+,32-/m1/s1
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0.0250n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human KOR expressed in CHO cells


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


(Homo sapiens (human))
BDBM86549
PNG
(CAS_213055 | NSC_213055 | TRK-820)
Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)C(=O)C=Cc1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3
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0.0250n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 220-30 (2005)


Article DOI: 10.1124/jpet.104.073668
BindingDB Entry DOI: 10.7270/Q26T0K6G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.0270n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 203-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002345
PNG
(CHEMBL407529 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
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)NCc1ccccc1)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/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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0.0290n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor kappa in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50059583
PNG
(CHEMBL268818 | N-benzyl[D-Pro-10]Dyn A-(1-11) | Ph...)
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)NCc1ccccc1)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/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1
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0.0290n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes


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
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50347177
PNG
(CHEMBL1797687)
Show SMILES CCC12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc13)C2(C)C
Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20?/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM83436
PNG
(2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-(1...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
mu/kappa 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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0.0300n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes


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
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radioligand in guinea pig brain membranes.


J Med Chem 47: 165-74 (2003)


Article DOI: 10.1021/jm0304156
BindingDB Entry DOI: 10.7270/Q2KD1XB2
More data for this
Ligand-Target Pair
mu/kappa 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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0.0300n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor kappa in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human recombinant mu opioid receptor expressed in HEK cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50303629
PNG
(17-(Cyclopropylmethyl)-N-(4-methoxyphenyl)morphina...)
Show SMILES COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1
Show InChI InChI=1S/C27H34N2O/c1-30-23-11-9-21(10-12-23)28-22-8-7-20-16-26-24-4-2-3-13-27(24,25(20)17-22)14-15-29(26)18-19-5-6-19/h7-12,17,19,24,26,28H,2-6,13-16,18H2,1H3/t24-,26+,27+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50013388
PNG
(6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dime...)
Show SMILES CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C
Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3
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0.0300n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019484
PNG
(CHEMBL384584 | NH2-Tyr-D-Trp-Gly-Phe-Leu-Arg-Arg-D...)
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)=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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0.0320n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]-bremazocine binding to Opioid receptor kappa 1 in guinea pig cerebellum membrane homogenates.


J Med Chem 29: 1913-7 (1986)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50174573
PNG
(CHEMBL3808477)
Show SMILES Clc1ccc2C(=O)CC(C(=O)N3CCc4ccccc4C3CN3CCCC3)c2c1
Show InChI InChI=1S/C24H25ClN2O2/c25-17-7-8-19-20(13-17)21(14-23(19)28)24(29)27-12-9-16-5-1-2-6-18(16)22(27)15-26-10-3-4-11-26/h1-2,5-8,13,21-22H,3-4,9-12,14-15H2
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0.0330n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...


Bioorg Med Chem 24: 2964-2970 (2016)


Article DOI: 10.1016/j.bmc.2016.05.002
BindingDB Entry DOI: 10.7270/Q2P84DTT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50430593
PNG
(CHEMBL2338739)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C29H41NO4/c1-17(2)4-8-21(31)20-15-27-10-11-29(20,33-3)26-28(27)12-13-30(16-18-5-6-18)23(27)14-19-7-9-22(32)25(34-26)24(19)28/h7,9,17-18,20-21,23,26,31-32H,4-6,8,10-16H2,1-3H3/t20-,21-,23-,26-,27-,28+,29-/m1/s1
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0.0330n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human KOR expressed in CHO cells


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


(Homo sapiens (human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)


Article DOI: 10.1021/jm050577x
BindingDB Entry DOI: 10.7270/Q2HQ40QF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
BindingDB Entry DOI: 10.7270/Q2N58N4X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO membrane


Bioorg Med Chem 15: 4106-12 (2007)


Article DOI: 10.1016/j.bmc.2007.03.076
BindingDB Entry DOI: 10.7270/Q2D50MN1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
BindingDB Entry DOI: 10.7270/Q2028SJ1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102826
PNG
(CHEMBL3339374)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@@H]1CC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H35N3O4/c34-21-9-8-20-14-23-30-11-10-29(36,22(32-30)15-24(35)31-16-18-4-2-1-3-5-18)27-28(30,25(20)26(21)37-27)12-13-33(23)17-19-6-7-19/h1-5,8-9,19,22-23,27,32,34,36H,6-7,10-17H2,(H,31,35)/t22-,23?,27?,28?,29-,30-/m1/s1
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0.0370n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 24: 4980-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.029
BindingDB Entry DOI: 10.7270/Q2154JTJ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50451302
PNG
(CHEMBL2115245)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3C\C=C\I)c1
Show InChI InChI=1S/C19H24INO/c20-9-3-10-21-11-8-19-7-2-1-4-17(19)18(21)13-14-12-15(22)5-6-16(14)19/h3,5-6,9,12,17-18,22H,1-2,4,7-8,10-11,13H2/b9-3+/t17-,18+,19-/m0/s1
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0.0370n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593


Bioorg Med Chem Lett 11: 2735-40 (2001)


Article DOI: 10.1016/s0960-894x(01)00543-1
BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.0380n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S, binding from Opioid receptor kappa 1 in Guinea pig Caudate stimulated by U69,593


J Med Chem 41: 5188-97 (1999)


Article DOI: 10.1021/jm980511k
BindingDB Entry DOI: 10.7270/Q2P26ZT4
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50347179
PNG
(CHEMBL1797689)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1
Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1
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0.0380n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
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