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Compile Data Set for Download or QSAR

Found 443 hits of ki for UniProtKB: P34975   
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


(Rattus norvegicus (rat))
BDBM50346950
PNG
(CHEMBL485832)
Show SMILES NC(N)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |r,wU:25.29,16.16,wD:24.26,10.10,(29.24,2.21,;28.18,1.09,;28.63,-.39,;26.68,1.44,;25.63,.32,;26.07,-1.15,;25.02,-2.26,;23.54,-1.9,;22.28,-2.76,;21.07,-1.84,;19.56,-2.11,;18.6,-3.32,;16.7,-2.72,;17.22,-1.24,;16.07,-.08,;16.57,1.37,;18.08,1.66,;17.24,3.55,;17.28,5.09,;18.63,5.82,;20.18,5.78,;19.45,7.14,;16.72,1.91,;17.37,-.05,;18.71,-.83,;19.2,.35,;19.7,1.82,;20.59,.77,;21.58,-.4,;23.11,-.44,;24.15,.67,;14.56,-.37,;14.05,-1.82,;15.05,-2.99,;14.52,-4.44,)|
Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Mutant factor of the compound against mu-[K303E] with Opioid receptor kappa 1 for binding affinity


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
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 |r|
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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0.0700n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from opioid receptor kappa 1 expressed in HEK 293 cells


J Med Chem 44: 857-62 (2001)


BindingDB Entry DOI: 10.7270/Q27H1K9D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50346950
PNG
(CHEMBL485832)
Show SMILES NC(N)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |r,wU:25.29,16.16,wD:24.26,10.10,(29.24,2.21,;28.18,1.09,;28.63,-.39,;26.68,1.44,;25.63,.32,;26.07,-1.15,;25.02,-2.26,;23.54,-1.9,;22.28,-2.76,;21.07,-1.84,;19.56,-2.11,;18.6,-3.32,;16.7,-2.72,;17.22,-1.24,;16.07,-.08,;16.57,1.37,;18.08,1.66,;17.24,3.55,;17.28,5.09,;18.63,5.82,;20.18,5.78,;19.45,7.14,;16.72,1.91,;17.37,-.05,;18.71,-.83,;19.2,.35,;19.7,1.82,;20.59,.77,;21.58,-.4,;23.11,-.44,;24.15,.67,;14.56,-.37,;14.05,-1.82,;15.05,-2.99,;14.52,-4.44,)|
Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effect on binding affinity of mutational exchange of Glu297 in the Opioid receptor kappa 1 in transiently expressed rat cos-7 cells activity expresse...


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM81931
PNG
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1
Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50290967
PNG
(1-{(5R,7S,8S)-8-[(2-Benzofuran-4-yl-acetyl)-methyl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]-U-69,593 to cloned rat Opioid receptor kappa 1 expressed in CHO cell line


Bioorg Med Chem Lett 7: 291-296 (1997)


Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133053
PNG
(CHEMBL405057 | Opioid Peptide [d-Ala(8)]Dynorphin ...)
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](C)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/C60H98N22O12/c1-34(2)29-44(81-55(92)45(31-36-13-5-4-6-14-36)76-48(85)33-73-47(84)32-74-51(88)39(62)30-37-20-22-38(83)23-21-37)54(91)79-42(17-10-26-71-59(66)67)53(90)78-41(16-9-25-70-58(64)65)52(89)75-35(3)50(87)80-43(18-11-27-72-60(68)69)57(94)82-28-12-19-46(82)56(93)77-40(49(63)86)15-7-8-24-61/h4-6,13-14,20-23,34-35,39-46,83H,7-12,15-19,24-33,61-62H2,1-3H3,(H2,63,86)(H,73,84)(H,74,88)(H,75,89)(H,76,85)(H,77,93)(H,78,90)(H,79,91)(H,80,87)(H,81,92)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t35-,39+,40+,41+,42+,43+,44+,45-,46+/m1/s1
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0.110n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards rat Opioid receptor kappa 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]-dipren...


J Med Chem 46: 4002-8 (2003)


Article DOI: 10.1021/jm030075o
BindingDB Entry DOI: 10.7270/Q2CN739H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM85780
PNG
([(R)-Atc4, D-Ala8]Dyn A-(1-11)NH2 | [(S)-Atc4 , D-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)[C@@]1([#6]-[#6]-c2ccccc2-[#6]1)[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C62H99N21O13/c1-35(2)30-46(81-58(96)62(24-23-38-12-4-5-13-39(38)32-62)82-49(86)34-74-48(85)33-75-51(88)41(64)31-37-19-21-40(84)22-20-37)54(91)78-43(16-9-27-72-60(67)68)53(90)77-42(15-8-26-71-59(65)66)52(89)76-36(3)50(87)79-44(17-10-28-73-61(69)70)56(93)83-29-11-18-47(83)55(92)80-45(57(94)95)14-6-7-25-63/h4-5,12-13,19-22,35-36,41-47,84H,6-11,14-18,23-34,63-64H2,1-3H3,(H,74,85)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,79,87)(H,80,92)(H,81,96)(H,82,86)(H,94,95)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,41+,42+,43+,44+,45+,46+,47+,62+/m1/s1
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0.114n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
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 |r|
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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0.120n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effect on binding affinity of mutational exchange of Glu297 in the Opioid receptor kappa 1 in transiently expressed rat cos-7 cells activity expresse...


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133226
PNG
(15-methoxy-3-methyl-19-(1-methylbutyl)-13-oxa-3-az...)
Show SMILES CCC[C@H](C)C1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5C[C@H]2N(C)CC[C@@]31c45 |wU:21.23,wD:13.14,26.30,7.7,10.11,3.3,c:8,(-6.72,-4.49,;-6.72,-3.27,;-7.83,-2.27,;-7.83,-.96,;-9.4,-.96,;-6.2,-.93,;-5.43,-2.25,;-3.89,-2.25,;-4.15,-.92,;-5.15,-.92,;-5.48,.41,;-6.13,1.56,;-7.77,1.56,;-3.91,.41,;-2.42,1.4,;-.81,.42,;.75,.42,;1.52,-.93,;.75,-2.25,;-.81,-2.25,;-1.6,-3.58,;-3.15,-3.58,;-3.75,-4.85,;-3.75,-6.7,;-2.31,-4.85,;-2.31,-2.04,;-3.17,-.92,;-1.6,-.92,)|
Show InChI InChI=1S/C25H33NO2/c1-5-7-16(2)18-15-23-10-11-25(18,27-4)22-24(23)12-13-26(3)20(23)14-17-8-6-9-19(28-22)21(17)24/h6,8-11,16,18,20,22H,5,7,12-15H2,1-4H3/t16-,18?,20+,22+,23+,24-,25+/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand


J Med Chem 46: 4182-7 (2003)


Article DOI: 10.1021/jm030878b
BindingDB Entry DOI: 10.7270/Q22V2GVM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


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



University of Maryland

Curated by ChEMBL


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


J Med Chem 47: 446-55 (2004)


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


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



University of Maryland

Curated by ChEMBL


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


J Med Chem 47: 446-55 (2004)


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


(Rattus norvegicus (rat))
BDBM50367123
PNG
(ETORPHINE | M99)
Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O |c:9,TLB:3:6:9.10:24.13,THB:7:8:16.17.18:20.23.22,9:8:16.17.18:20.23.22|
Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand


J Med Chem 46: 4182-7 (2003)


Article DOI: 10.1021/jm030878b
BindingDB Entry DOI: 10.7270/Q22V2GVM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM81931
PNG
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1
Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138768
PNG
(CHEMBL438781 | Linear [D-Asp2,Dap5]Dyn A-(1-13)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C74H124N26O16/c1-5-42(4)59(70(115)95-51(23-15-33-88-74(84)85)71(116)100-34-16-24-56(100)69(114)94-48(20-10-12-30-76)64(109)97-52(35-41(2)3)66(111)91-47(60(79)105)19-9-11-29-75)99-65(110)50(22-14-32-87-73(82)83)92-63(108)49(21-13-31-86-72(80)81)93-68(113)55(39-77)98-67(112)53(37-43-17-7-6-8-18-43)90-57(102)40-89-62(107)54(38-58(103)104)96-61(106)46(78)36-44-25-27-45(101)28-26-44/h6-8,17-18,25-28,41-42,46-56,59,101H,5,9-16,19-24,29-40,75-78H2,1-4H3,(H2,79,105)(H,89,107)(H,90,102)(H,91,111)(H,92,108)(H,93,113)(H,94,114)(H,95,115)(H,96,106)(H,97,109)(H,98,112)(H,99,110)(H,103,104)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54+,55-,56-,59-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


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


J Med Chem 47: 446-55 (2004)


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


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



University of Maryland

Curated by ChEMBL


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


J Med Chem 47: 446-55 (2004)


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


(Rattus norvegicus (rat))
BDBM50090099
PNG
(5'-Amidinomethyl-17-cyclopropylmethyl-6,7-didehydr...)
Show SMILES NC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:12:13:25:17.23.22,31:14:25:17.23.22|
Show InChI InChI=1S/C28H30N4O3/c29-22(30)10-15-3-5-19-17(9-15)18-12-28(34)21-11-16-4-6-20(33)25-23(16)27(28,26(35-25)24(18)31-19)7-8-32(21)13-14-1-2-14/h3-6,9,14,21,26,31,33-34H,1-2,7-8,10-13H2,(H3,29,30)/t21?,26-,27-,28+/m0/s1
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0.214n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor kappa 1


J Med Chem 43: 2759-69 (2000)


BindingDB Entry DOI: 10.7270/Q2JD4W2W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50090102
PNG
(5'-N-Biguanidino-17-cyclopropylmethyl-6,7-didehydr...)
Show SMILES NC(=N)N=C(N)Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:3.2,TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C28H31N7O3/c29-25(30)34-26(31)32-15-4-5-18-16(10-15)17-11-28(37)20-9-14-3-6-19(36)23-21(14)27(28,24(38-23)22(17)33-18)7-8-35(20)12-13-1-2-13/h3-6,10,13,20,24,33,36-37H,1-2,7-9,11-12H2,(H6,29,30,31,32,34)/t20?,24-,27-,28+/m0/s1
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0.226n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor kappa 1


J Med Chem 43: 2759-69 (2000)


BindingDB Entry DOI: 10.7270/Q2JD4W2W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
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 |r|
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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0.240n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from delta-W284E-receptor expressed in HEK 293 cells


J Med Chem 44: 857-62 (2001)


BindingDB Entry DOI: 10.7270/Q27H1K9D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50090100
PNG
(CHEMBL319202 | Norbinaltorphimine (norBNI))
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2CC4(O)[C@H]6Cc7ccc(O)c8OC(c2c1CC35O)C4(CCN6CC1CC1)c78 |TLB:24:23:48.27.26:43.41.42,3:4:38:7.13.12,32:48:23:43.41.42,THB:22:23:48.27.26:43.41.42,28:27:23:43.41.42|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-14-28-40(47)16-24-29(35-37(40,30(21)33(25)48-35)9-11-43(28)18-20-3-4-20)23-15-39(46)27-13-22-6-8-26(45)34-31(22)38(39,36(49-34)32(23)41-24)10-12-42(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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0.244n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor kappa 1


J Med Chem 43: 2759-69 (2000)


BindingDB Entry DOI: 10.7270/Q2JD4W2W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50036266
PNG
(CHEMBL262963 | Dyn A(H-Tyr-Gly-Ala-Phe-Leu-Arg-Arg...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


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


J Med Chem 47: 446-55 (2004)


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


(Rattus norvegicus (rat))
BDBM50068379
PNG
(5'-[N-(N'-Cyano)guanidinyl]-17-cyclopropylmethyl-6...)
Show SMILES NC(Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NC#N |w:34.42,TLB:11:12:24:16.22.21,30:13:24:16.22.21|
Show InChI InChI=1S/C28H28N6O3/c29-13-31-26(30)32-16-4-5-19-17(10-16)18-11-28(36)21-9-15-3-6-20(35)24-22(15)27(28,25(37-24)23(18)33-19)7-8-34(21)12-14-1-2-14/h3-6,10,14,21,25,33,35-36H,1-2,7-9,11-12H2,(H3,30,31,32)/t21?,25-,27-,28+/m0/s1
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0.270n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effect on binding affinity of mutational exchange of Glu297 in the Opioid receptor kappa 1 in transiently expressed rat cos-7 cells activity expresse...


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068379
PNG
(5'-[N-(N'-Cyano)guanidinyl]-17-cyclopropylmethyl-6...)
Show SMILES NC(Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NC#N |w:34.42,TLB:11:12:24:16.22.21,30:13:24:16.22.21|
Show InChI InChI=1S/C28H28N6O3/c29-13-31-26(30)32-16-4-5-19-17(10-16)18-11-28(36)21-9-15-3-6-20(35)24-22(15)27(28,25(37-24)23(18)33-19)7-8-34(21)12-14-1-2-14/h3-6,10,14,21,25,33,35-36H,1-2,7-9,11-12H2,(H3,30,31,32)/t21?,25-,27-,28+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Mutant factor against mu-[K303E] with Opioid receptor kappa 1 for binding affinity


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM81931
PNG
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1
Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
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 |r|
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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0.320n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta 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


(Rattus norvegicus (rat))
BDBM50138774
PNG
(CHEMBL415795 | Linear [D-Ala3]Dyn A-(1-11)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


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


J Med Chem 47: 446-55 (2004)


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


(Rattus norvegicus (rat))
BDBM50090103
PNG
(5'-(Trimethylammonium)methyl-17-cyclopropylmethyl-...)
Show SMILES C[N+](C)(C)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:13:14:26:18.24.23,32:15:26:18.24.23|
Show InChI InChI=1S/C30H35N3O3/c1-33(2,3)16-18-6-8-22-20(12-18)21-14-30(35)24-13-19-7-9-23(34)27-25(19)29(30,28(36-27)26(21)31-22)10-11-32(24)15-17-4-5-17/h6-9,12,17,24,28,31,35H,4-5,10-11,13-16H2,1-3H3/p+1/t24?,28-,29-,30+/m0/s1
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0.354n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor kappa 1


J Med Chem 43: 2759-69 (2000)


BindingDB Entry DOI: 10.7270/Q2JD4W2W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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-/m0/s1
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0.360n/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
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50002184
PNG
(CHEMBL415330 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C75H127N25O14/c1-7-45(6)61(71(113)96-54(25-17-35-88-75(84)85)72(114)100-36-18-26-58(100)70(112)95-51(22-12-14-32-77)65(107)97-55(37-43(2)3)67(109)92-50(62(79)104)21-11-13-31-76)99-66(108)53(24-16-34-87-74(82)83)93-64(106)52(23-15-33-86-73(80)81)94-68(110)56(38-44(4)5)98-69(111)57(40-46-19-9-8-10-20-46)91-60(103)42-89-59(102)41-90-63(105)49(78)39-47-27-29-48(101)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,101H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H2,79,104)(H,89,102)(H,90,105)(H,91,103)(H,92,109)(H,93,106)(H,94,110)(H,95,112)(H,96,113)(H,97,107)(H,98,111)(H,99,108)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


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


J Med Chem 47: 446-55 (2004)


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


(Rattus norvegicus (rat))
BDBM50133224
PNG
(10-hydroxy-4,13-dimethyl-17-(3-phenylpropoxy)-12-o...)
Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4O)NC |c:12|
Show InChI InChI=1S/C28H33NO4/c1-4-15-27-24-20-12-13-21(30)25(24)33-26(27,2)23(31)14-16-28(27,22(18-20)29-3)32-17-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-14,16,22,29-30H,4,8,11,15,17-18H2,1-3H3/t22?,26-,27-,28+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand


J Med Chem 46: 4182-7 (2003)


Article DOI: 10.1021/jm030878b
BindingDB Entry DOI: 10.7270/Q22V2GVM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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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0.450n/an/an/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Displacement of [3H]U 69593 from rat recombinant kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 60: 349-361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01422
BindingDB Entry DOI: 10.7270/Q27M0B6T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


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



University of Maryland

Curated by ChEMBL


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


J Med Chem 47: 446-55 (2004)


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


(Rattus norvegicus (rat))
BDBM50123658
PNG
(3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...)
Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2cccc(F)c2)[C@@H](C)CN1CC=C
Show InChI InChI=1S/C30H34FN3O2/c1-5-15-33-19-22(3)34(20-21(33)2)29(24-10-7-14-28(35)17-24)23-9-6-11-25(16-23)30(36)32(4)27-13-8-12-26(31)18-27/h5-14,16-18,21-22,29,35H,1,15,19-20H2,2-4H3/t21-,22+,29-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from kappa opioid receptor in albino Sprague-Dawley rat after 90 mins by liquid scintillation


Eur J Med Chem 108: 211-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.028
BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
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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0.509n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1263-70 (1995)


BindingDB Entry DOI: 10.7270/Q2R20ZVX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50090101
PNG
(5'-Amidino-17-cyclopropylmethyl-6,7-didehydro-4,5a...)
Show SMILES NC(=N)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:11:12:24:16.22.21,30:13:24:16.22.21|
Show InChI InChI=1S/C27H28N4O3/c28-25(29)15-3-5-18-16(9-15)17-11-27(33)20-10-14-4-6-19(32)23-21(14)26(27,24(34-23)22(17)30-18)7-8-31(20)12-13-1-2-13/h3-6,9,13,20,24,30,32-33H,1-2,7-8,10-12H2,(H3,28,29)/t20?,24-,26-,27+/m0/s1
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0.529n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor kappa 1


J Med Chem 43: 2759-69 (2000)


BindingDB Entry DOI: 10.7270/Q2JD4W2W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


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


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=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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0.600n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding constant against E203Q,D204N,D206N EL-2 Opioid receptor kappa 1 using [3H]diprenorphine as radioligand expressed in HEK cells


J Med Chem 43: 1251-2 (2001)


BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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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0.600n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from rat KOR expressed in CHO cells


Bioorg Med Chem 24: 5280-5290 (2016)


Article DOI: 10.1016/j.bmc.2016.08.057
BindingDB Entry DOI: 10.7270/Q2SB497K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133054
PNG
(CHEMBL412228 | Opioid Peptide [d-Ala(8)]Dynorphin ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C(=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](C)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/C61H100N22O12/c1-35(2)30-45(81-57(94)47(32-37-14-6-5-7-15-37)82(4)49(86)34-74-48(85)33-75-52(89)40(63)31-38-21-23-39(84)24-22-38)55(92)79-43(18-11-27-72-60(67)68)54(91)78-42(17-10-26-71-59(65)66)53(90)76-36(3)51(88)80-44(19-12-28-73-61(69)70)58(95)83-29-13-20-46(83)56(93)77-41(50(64)87)16-8-9-25-62/h5-7,14-15,21-24,35-36,40-47,84H,8-13,16-20,25-34,62-63H2,1-4H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44+,45+,46+,47-/m1/s1
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0.620n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards rat Opioid receptor kappa 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]-dipren...


J Med Chem 46: 4002-8 (2003)


Article DOI: 10.1021/jm030075o
BindingDB Entry DOI: 10.7270/Q2CN739H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50088375
PNG
(1-{8-[(2,3-Diphenyl-cycloprop-2-enecarbonyl)-methy...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1)C(=O)C1C(=C1c1ccccc1)c1ccccc1 |c:23|
Show InChI InChI=1S/C30H36N2O2/c1-31(24-15-17-30(16-10-20-34-30)21-25(24)32-18-8-9-19-32)29(33)28-26(22-11-4-2-5-12-22)27(28)23-13-6-3-7-14-23/h2-7,11-14,24-25,28H,8-10,15-21H2,1H3/p+1/t24-,25-,30-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U-69593 binding in cloned rat Opioid receptor kappa 1 expressed in CHO cell line


J Med Chem 43: 2124-34 (2000)


BindingDB Entry DOI: 10.7270/Q23N242D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50088375
PNG
(1-{8-[(2,3-Diphenyl-cycloprop-2-enecarbonyl)-methy...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1)C(=O)C1C(=C1c1ccccc1)c1ccccc1 |c:23|
Show InChI InChI=1S/C30H36N2O2/c1-31(24-15-17-30(16-10-20-34-30)21-25(24)32-18-8-9-19-32)29(33)28-26(22-11-4-2-5-12-22)27(28)23-13-6-3-7-14-23/h2-7,11-14,24-25,28H,8-10,15-21H2,1H3/p+1/t24-,25-,30-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]-U-69,593 to cloned rat Opioid receptor kappa 1 expressed in CHO cell line


Bioorg Med Chem Lett 7: 291-296 (1997)


Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133051
PNG
(CHEMBL413832 | Opioid Peptide [d-Ala(8)]Dynorphin ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)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](C)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/C61H100N22O12/c1-35(2)31-46(82-55(92)44(25-22-37-13-5-4-6-14-37)77-49(86)34-74-48(85)33-75-52(89)40(63)32-38-20-23-39(84)24-21-38)56(93)80-43(17-10-28-72-60(67)68)54(91)79-42(16-9-27-71-59(65)66)53(90)76-36(3)51(88)81-45(18-11-29-73-61(69)70)58(95)83-30-12-19-47(83)57(94)78-41(50(64)87)15-7-8-26-62/h4-6,13-14,20-21,23-24,35-36,40-47,84H,7-12,15-19,22,25-34,62-63H2,1-3H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,86)(H,78,94)(H,79,91)(H,80,93)(H,81,88)(H,82,92)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1
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0.660n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards rat Opioid receptor kappa 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]-dipren...


J Med Chem 46: 4002-8 (2003)


Article DOI: 10.1021/jm030075o
BindingDB Entry DOI: 10.7270/Q2CN739H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from rat cloned KOR


Bioorg Med Chem Lett 17: 2229-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.100
BindingDB Entry DOI: 10.7270/Q2MC8ZPK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
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 |r|
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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0.770n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Mutant factor against mu-[K303E] with Opioid receptor kappa 1 for binding affinity


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=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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0.800n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding constant against wild type EL-2 Opioid receptor kappa 1 using [3H]diprenorphine as radioligand expressed in HEK cells


J Med Chem 43: 1251-2 (2001)


BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50087697
PNG
(8-Cycloundecyl-1-phenyl-1,3,8-triaza-spiro[4.5]dec...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCC1
Show InChI InChI=1S/C24H37N3O/c28-23-24(27(20-25-23)22-14-10-7-11-15-22)16-18-26(19-17-24)21-12-8-5-3-1-2-4-6-9-13-21/h7,10-11,14-15,21H,1-6,8-9,12-13,16-20H2,(H,25,28)
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0.820n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50090097
PNG
(5'-(Dimethylamino)methyl-17-cyclopropylmethyl-6,7-...)
Show SMILES CN(C)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:12:13:25:17.23.22,31:14:25:17.23.22|
Show InChI InChI=1S/C29H33N3O3/c1-31(2)14-17-5-7-21-19(11-17)20-13-29(34)23-12-18-6-8-22(33)26-24(18)28(29,27(35-26)25(20)30-21)9-10-32(23)15-16-3-4-16/h5-8,11,16,23,27,30,33-34H,3-4,9-10,12-15H2,1-2H3/t23?,27-,28-,29+/m0/s1
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PubMed
0.823n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor kappa 1


J Med Chem 43: 2759-69 (2000)


BindingDB Entry DOI: 10.7270/Q2JD4W2W
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Ligand-Target Pair
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