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Compile Data Set for Download or QSAR

Found 237 hits Enz. Inhib. hit(s) with Target = 'OPRK1' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
OPRK1


(MOUSE)
BDBM50346951
PNG
(CHEMBL1795711 | CHEMBL1795714)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1
Show InChI InChI=1S/C27H29IN2O4/c28-18-3-1-2-17(12-18)25(32)29-19-8-9-27(33)21-13-16-6-7-20(31)23-22(16)26(27,24(19)34-23)10-11-30(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,31,33H,4-5,8-11,13-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50346952
PNG
(CHEMBL1795712 | CHEMBL1795715)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1
Show InChI InChI=1S/C26H27IN2O4/c1-2-11-29-12-10-25-21-15-6-7-19(30)22(21)33-23(25)18(8-9-26(25,32)20(29)14-15)28-24(31)16-4-3-5-17(27)13-16/h2-7,13,18,20,23,30,32H,1,8-12,14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50118178
PNG
(CHEMBL3613172)
Show SMILES Cl.CN([C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@@]24Cc1ccc(O)cc31)C(=O)CCc1ccccc1
Show InChI InChI=1/C32H40N2O2.ClH/c1-33(30(36)14-9-22-5-3-2-4-6-22)28-20-31-15-16-34(21-23-7-8-23)29-13-11-25(28)19-32(29,31)18-24-10-12-26(35)17-27(24)31;/h2-6,10,12,17,23,25,28-29,35H,7-9,11,13-16,18-21H2,1H3;1H/t25-,28-,29+,31-,32-;/s2
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0.113n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50118191
PNG
(CHEMBL3613173)
Show SMILES Cl.CN([C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@@]24Cc1ccc(O)cc31)C(=O)Cc1ccccc1
Show InChI InChI=1/C31H38N2O2.ClH/c1-32(29(35)15-21-5-3-2-4-6-21)27-19-30-13-14-33(20-22-7-8-22)28-12-10-24(27)18-31(28,30)17-23-9-11-25(34)16-26(23)30;/h2-6,9,11,16,22,24,27-28,34H,7-8,10,12-15,17-20H2,1H3;1H/t24-,27-,28+,30-,31-;/s2
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0.136n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
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/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.178n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50118177
PNG
(CHEMBL3613171)
Show SMILES Cl.CN([C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@@]24Cc1ccc(O)cc31)C(=O)\C=C\c1ccoc1
Show InChI InChI=1/C30H36N2O3.ClH/c1-31(28(34)9-4-21-10-13-35-19-21)26-17-29-11-12-32(18-20-2-3-20)27-8-6-23(26)16-30(27,29)15-22-5-7-24(33)14-25(22)29;/h4-5,7,9-10,13-14,19-20,23,26-27,33H,2-3,6,8,11-12,15-18H2,1H3;1H/b9-4+;/t23-,26-,27+,29-,30-;/s2
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0.204n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395111
PNG
(CHEMBL2163542)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O4/c1-2-11-32-12-10-25-21-15-6-7-19(33)22(21)36-23(25)18(8-9-26(25,35)20(32)14-15)31-24(34)16-4-3-5-17(13-16)27(28,29)30/h2-7,13,18,20,23,33,35H,1,8-12,14H2,(H,31,34)/t18-,20-,23+,25+,26-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50118184
PNG
(CHEMBL3613163)
Show SMILES Cl.CN([C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@@]24Cc1ccc(O)cc31)C(=O)\C=C\c1ccoc1
Show InChI InChI=1/C30H34N2O3.ClH/c1-31(28(34)9-4-21-10-13-35-19-21)26-17-29-11-12-32(18-20-2-3-20)27-8-6-23(26)16-30(27,29)15-22-5-7-24(33)14-25(22)29;/h4-10,13-14,19-20,23,26-27,33H,2-3,11-12,15-18H2,1H3;1H/b9-4+;/t23-,26-,27+,29-,30-;/s2
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0.230n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50118182
PNG
(CHEMBL3613165)
Show SMILES CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2.CN([C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@@]24Cc1ccc(O)cc31)C(=O)Cc1ccccc1
Show InChI InChI=1/C31H36N2O2.C10H16O4S/c1-32(29(35)15-21-5-3-2-4-6-21)27-19-30-13-14-33(20-22-7-8-22)28-12-10-24(27)18-31(28,30)17-23-9-11-25(34)16-26(23)30;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-6,9-12,16,22,24,27-28,34H,7-8,13-15,17-20H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t24-,27-,28+,30-,31-;/s2
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0.240n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395117
PNG
(CHEMBL2163536)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(I)cc1
Show InChI InChI=1S/C26H27IN2O4/c1-2-12-29-13-11-25-21-16-5-8-19(30)22(21)33-23(25)18(9-10-26(25,32)20(29)14-16)28-24(31)15-3-6-17(27)7-4-15/h2-8,18,20,23,30,32H,1,9-14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50041240
PNG
((6S,11R)-3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16?,17-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50095706
PNG
(4-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N
Show InChI InChI=1S/C18H24N2O/c1-13-17-11-14-5-6-15(21)12-16(14)18(13,2)7-10-20(17)9-4-3-8-19/h5-6,12-13,17,21H,3-4,7,9-11H2,1-2H3/t13-,17?,18-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395109
PNG
(CHEMBL2163544)
Show SMILES Nc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Show InChI InChI=1S/C26H29N3O4/c1-2-11-29-12-10-25-21-15-6-7-19(30)22(21)33-23(25)18(8-9-26(25,32)20(29)14-15)28-24(31)16-4-3-5-17(27)13-16/h2-7,13,18,20,23,30,32H,1,8-12,14,27H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50095694
PNG
(3-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N
Show InChI InChI=1S/C17H22N2O/c1-12-16-10-13-4-5-14(20)11-15(13)17(12,2)6-9-19(16)8-3-7-18/h4-5,11-12,16,20H,3,6,8-10H2,1-2H3/t12-,16?,17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50118183
PNG
(CHEMBL3613164)
Show SMILES Cl.CN([C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@@]24Cc1ccc(O)cc31)C(=O)CCc1ccccc1
Show InChI InChI=1/C32H38N2O2.ClH/c1-33(30(36)14-9-22-5-3-2-4-6-22)28-20-31-15-16-34(21-23-7-8-23)29-13-11-25(28)19-32(29,31)18-24-10-12-26(35)17-27(24)31;/h2-6,10-13,17,23,25,28-29,35H,7-9,14-16,18-21H2,1H3;1H/t25-,28-,29+,31-,32-;/s2
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0.470n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395115
PNG
(CHEMBL2163538)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H27ClN2O4/c1-2-11-29-12-10-25-21-15-6-7-19(30)22(21)33-23(25)18(8-9-26(25,32)20(29)14-15)28-24(31)16-4-3-5-17(27)13-16/h2-7,13,18,20,23,30,32H,1,8-12,14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50118190
PNG
(CHEMBL3613174)
Show SMILES Cl.CN([C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@@]24Cc1ccc(O)cc31)C(=O)c1ccccc1
Show InChI InChI=1/C30H36N2O2.ClH/c1-31(28(34)21-5-3-2-4-6-21)26-18-29-13-14-32(19-20-7-8-20)27-12-10-23(26)17-30(27,29)16-22-9-11-24(33)15-25(22)29;/h2-6,9,11,15,20,23,26-27,33H,7-8,10,12-14,16-19H2,1H3;1H/t23-,26-,27+,29-,30-;/s2
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0.543n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50066278
PNG
(CHEMBL2419120)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CNC(=O)c1cc2ccccc2cn1
Show InChI InChI=1/C32H34N4O5/c37-24-8-7-20-14-25-32(40)10-9-22(29-31(32,27(20)28(24)41-29)11-12-36(25)17-18-5-6-18)35-26(38)16-34-30(39)23-13-19-3-1-2-4-21(19)15-33-23/h1-4,7-8,13,15,18,22,25,29,37,40H,5-6,9-12,14,16-17H2,(H,34,39)(H,35,38)/t22-,25+,29-,31-,32+/s2
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0.610n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50010542
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O
Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72)
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0.770n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50037595
PNG
(1-((S)-2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES O=C(Cc1ccc2CCCCc2c1)N1CCCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C22H32N2O/c25-22(16-18-10-11-19-7-1-2-8-20(19)15-18)24-14-4-3-9-21(24)17-23-12-5-6-13-23/h10-11,15,21H,1-9,12-14,16-17H2/t21-/m0/s1
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0.810n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50118180
PNG
(CHEMBL3613167)
Show SMILES Cl.CN([C@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@@]24Cc1ccc(O)cc31)C(=O)\C=C\c1ccoc1
Show InChI InChI=1/C30H34N2O3.ClH/c1-31(28(34)9-4-21-10-13-35-19-21)26-17-29-11-12-32(18-20-2-3-20)27-8-6-23(26)16-30(27,29)15-22-5-7-24(33)14-25(22)29;/h4-10,13-14,19-20,23,26-27,33H,2-3,11-12,15-18H2,1H3;1H/b9-4+;/t23-,26+,27+,29-,30-;/s2
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0.820n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50402138
PNG
(CHEMBL2207678)
Show SMILES Oc1ccc2CC34CC5CCC3N(CC3CC3)CCC4(CC5=O)c2c1
Show InChI InChI=1S/C22H27NO2/c24-17-5-3-15-10-22-11-16-4-6-20(22)23(13-14-1-2-14)8-7-21(22,12-19(16)25)18(15)9-17/h3,5,9,14,16,20,24H,1-2,4,6-8,10-13H2
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0.840n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in mouse whole brain without cerebellum


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395118
PNG
(CHEMBL2163535)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccc1I
Show InChI InChI=1S/C26H27IN2O4/c1-2-12-29-13-11-25-21-15-7-8-19(30)22(21)33-23(25)18(9-10-26(25,32)20(29)14-15)28-24(31)16-5-3-4-6-17(16)27/h2-8,18,20,23,30,32H,1,9-14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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1n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM85537
PNG
(BU 46 | BU-46)
Show SMILES COC12C=C[C@]3(C4[C@H](O)CCC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H31NO4/c1-30-26-9-8-24(21-16(26)5-7-17(21)28)19-12-15-4-6-18(29)22-20(15)25(24,23(26)31-22)10-11-27(19)13-14-2-3-14/h4,6,8-9,14,16-17,19,21,23,28-29H,2-3,5,7,10-13H2,1H3/t16?,17-,19-,21?,23-,24-,25+,26?/m1/s1
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1.02n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
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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1.10n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50066276
PNG
(CHEMBL2419118)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)Cc1cc2ccccc2cn1
Show InChI InChI=1/C31H33N3O4/c35-24-8-7-20-14-25-31(37)10-9-23(33-26(36)15-22-13-19-3-1-2-4-21(19)16-32-22)29-30(31,27(20)28(24)38-29)11-12-34(25)17-18-5-6-18/h1-4,7-8,13,16,18,23,25,29,35,37H,5-6,9-12,14-15,17H2,(H,33,36)/t23-,25+,29-,30-,31+/s2
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50010538
PNG
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)
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(N)=O
Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1
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1.16n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395104
PNG
(CHEMBL2164297)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H30N2O4/c1-2-14-32-15-13-29-25-20-9-10-23(33)26(25)36-27(29)22(11-12-30(29,35)24(32)17-20)31-28(34)21-8-7-18-5-3-4-6-19(18)16-21/h2-10,16,22,24,27,33,35H,1,11-15,17H2,(H,31,34)/t22-,24-,27+,29+,30-/m1/s1
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1.29n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50095703
PNG
(3-But-3-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C
Show InChI InChI=1S/C18H25NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h4,6-7,12-13,17,20H,1,5,8-11H2,2-3H3/t13-,17?,18-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50010535
PNG
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1
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1.38n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50095707
PNG
(3-But-3-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#C
Show InChI InChI=1S/C18H23NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h1,6-7,12-13,17,20H,5,8-11H2,2-3H3/t13-,17?,18-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50010536
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1
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1.45n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395106
PNG
(CHEMBL2164295)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H27N3O6/c1-2-11-28-12-10-25-21-15-6-7-19(30)22(21)35-23(25)18(8-9-26(25,32)20(28)14-15)27-24(31)16-4-3-5-17(13-16)29(33)34/h2-7,13,18,20,23,30,32H,1,8-12,14H2,(H,27,31)/t18-,20-,23+,25+,26-/m1/s1
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1.51n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395114
PNG
(CHEMBL2163539)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C26H27BrN2O4/c1-2-11-29-12-10-25-21-15-6-7-19(30)22(21)33-23(25)18(8-9-26(25,32)20(29)14-15)28-24(31)16-4-3-5-17(27)13-16/h2-7,13,18,20,23,30,32H,1,8-12,14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50066277
PNG
(CHEMBL2419119)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCc1cc2ccccc2cn1
Show InChI InChI=1/C32H35N3O4/c36-25-9-7-21-16-26-32(38)12-11-24(34-27(37)10-8-23-15-20-3-1-2-4-22(20)17-33-23)30-31(32,28(21)29(25)39-30)13-14-35(26)18-19-5-6-19/h1-4,7,9,15,17,19,24,26,30,36,38H,5-6,8,10-14,16,18H2,(H,34,37)/t24-,26+,30-,31-,32+/s2
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1.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395112
PNG
(CHEMBL2163541)
Show SMILES Cc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Show InChI InChI=1S/C27H30N2O4/c1-3-12-29-13-11-26-22-17-7-8-20(30)23(22)33-24(26)19(9-10-27(26,32)21(29)15-17)28-25(31)18-6-4-5-16(2)14-18/h3-8,14,19,21,24,30,32H,1,9-13,15H2,2H3,(H,28,31)/t19-,21-,24+,26+,27-/m1/s1
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1.62n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50118175
PNG
(CHEMBL3613169)
Show SMILES CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2.CN([C@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@@]24Cc1ccc(O)cc31)C(=O)Cc1ccccc1
Show InChI InChI=1/C31H36N2O2.C10H16O4S/c1-32(29(35)15-21-5-3-2-4-6-21)27-19-30-13-14-33(20-22-7-8-22)28-12-10-24(27)18-31(28,30)17-23-9-11-25(34)16-26(23)30;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-6,9-12,16,22,24,27-28,34H,7-8,13-15,17-20H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t24-,27+,28+,30-,31-;/s2
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1.70n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM85538
PNG
(BU 61 | BU-61)
Show SMILES COC12C=C[C@]3(C4C1CC[C@]4(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C27H33NO4/c1-24(30)8-7-17-22(24)25-9-10-27(17,31-2)23-26(25)11-12-28(14-15-3-4-15)19(25)13-16-5-6-18(29)21(32-23)20(16)26/h5-6,9-10,15,17,19,22-23,29-30H,3-4,7-8,11-14H2,1-2H3/t17?,19-,22?,23-,24+,25-,26+,27?/m1/s1
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1.79n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50118179
PNG
(CHEMBL3613168)
Show SMILES CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2.CN([C@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@@]24Cc1ccc(O)cc31)C(=O)CCc1ccccc1
Show InChI InChI=1/C32H38N2O2.C10H16O4S/c1-33(30(36)14-9-22-5-3-2-4-6-22)28-20-31-15-16-34(21-23-7-8-23)29-13-11-25(28)19-32(29,31)18-24-10-12-26(35)17-27(24)31;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-6,10-13,17,23,25,28-29,35H,7-9,14-16,18-21H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t25-,28+,29+,31-,32-;/s2
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1.90n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50010534
PNG
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=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)NC
Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1
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1.91n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50402139
PNG
(CHEMBL2207679)
Show SMILES Oc1ccc2CC34CC5C=CC3N(CC3CC3)CCC4(CC5=O)c2c1
Show InChI InChI=1S/C22H25NO2/c24-17-5-3-15-10-22-11-16-4-6-20(22)23(13-14-1-2-14)8-7-21(22,12-19(16)25)18(15)9-17/h3-6,9,14,16,20,24H,1-2,7-8,10-13H2
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1.92n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in mouse whole brain without cerebellum


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395116
PNG
(CHEMBL2163537)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C26H27FN2O4/c1-2-11-29-12-10-25-21-15-6-7-19(30)22(21)33-23(25)18(8-9-26(25,32)20(29)14-15)28-24(31)16-4-3-5-17(27)13-16/h2-7,13,18,20,23,30,32H,1,8-12,14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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2.05n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM85539
PNG
(BU 47 | BU-47)
Show SMILES COC12C=C[C@]3(C4[C@@H](O)CCC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H31NO4/c1-30-26-9-8-24(21-16(26)5-7-17(21)28)19-12-15-4-6-18(29)22-20(15)25(24,23(26)31-22)10-11-27(19)13-14-2-3-14/h4,6,8-9,14,16-17,19,21,23,28-29H,2-3,5,7,10-13H2,1H3/t16?,17-,19+,21?,23+,24+,25-,26?/m0/s1
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2.75n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395107
PNG
(CHEMBL2163546)
Show SMILES Oc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Show InChI InChI=1S/C26H28N2O5/c1-2-11-28-12-10-25-21-15-6-7-19(30)22(21)33-23(25)18(8-9-26(25,32)20(28)14-15)27-24(31)16-4-3-5-17(29)13-16/h2-7,13,18,20,23,29-30,32H,1,8-12,14H2,(H,27,31)/t18-,20-,23+,25+,26-/m1/s1
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2.75n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM85540
PNG
(BU 96 | BU-96)
Show SMILES COC12C=C[C@]3(C4[C@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23+,24-,26-,27+,28?/m1/s1
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2.99n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50010532
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1
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3.02n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)

More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM50395105
PNG
(CHEMBL2164296)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H27F3N2O5/c1-2-12-32-13-11-25-21-16-5-8-19(33)22(21)36-23(25)18(9-10-26(25,35)20(32)14-16)31-24(34)15-3-6-17(7-4-15)37-27(28,29)30/h2-8,18,20,23,33,35H,1,9-14H2,(H,31,34)/t18-,20-,23+,25+,26-/m1/s1
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3.16n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


Citation and Details
More data for this
Ligand-Target Pair
OPRK1


(MOUSE)
BDBM85541
PNG
(BU 95 | BU-95)
Show SMILES COC12C=C[C@]3(C4[C@@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23-,24-,26-,27+,28?/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
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