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Compile Data Set for Download or QSAR

Found 621 hits for UniProtKB: P33534   
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


(Mus musculus (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 |r|
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


J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (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 |r|
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


J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50118178
PNG
(CHEMBL3613172)
Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)CCc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r|
Show InChI InChI=1S/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-;/m1./s1
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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)


Article DOI: 10.1016/j.bmc.2015.08.036
BindingDB Entry DOI: 10.7270/Q2V126M1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50118191
PNG
(CHEMBL3613173)
Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)Cc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r|
Show InChI InChI=1S/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-;/m1./s1
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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)


Article DOI: 10.1016/j.bmc.2015.08.036
BindingDB Entry DOI: 10.7270/Q2V126M1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (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 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
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)


Article DOI: 10.1016/j.bmc.2015.08.036
BindingDB Entry DOI: 10.7270/Q2V126M1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506211
PNG
(CHEMBL4444746)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2ccsc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-6-5-18-14-23-29(34)9-7-20(30-27(33)19-4-3-17-8-12-36-22(17)13-19)26-28(29,24(18)25(21)35-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506217
PNG
(CHEMBL4458688)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cc2ccccc2s1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-20-8-7-18-14-23-29(34)10-9-19(30-27(33)22-13-17-3-1-2-4-21(17)36-22)26-28(29,24(18)25(20)35-26)11-12-31(23)15-16-5-6-16;/h1-4,7-8,13,16,19,23,26,32,34H,5-6,9-12,14-15H2,(H,30,33);1H/t19-,23-,26+,28+,29-;/m1./s1
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0.200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50574769
PNG
(CHEMBL4870603)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r|
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0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00301
BindingDB Entry DOI: 10.7270/Q2WD44CX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50118177
PNG
(CHEMBL3613171)
Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)\C=C\c1ccoc1)c1cc(O)ccc1C[C@@]34C2 |r|
Show InChI InChI=1S/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-;/m1./s1
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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)


Article DOI: 10.1016/j.bmc.2015.08.036
BindingDB Entry DOI: 10.7270/Q2V126M1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506225
PNG
(CHEMBL4562210)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2sccc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-36-22)26-28(29,24(18)25(21)35-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.210n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506219
PNG
(CHEMBL4460495)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2occc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-35-22)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.210n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586139
PNG
(CHEMBL5092405)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccsc1)ccc3O |r,THB:10:9:17:6.5.7|
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0.220n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (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 |r|
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


J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506228
PNG
(CHEMBL4570108)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cc2ccccc2o1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-20-8-7-18-14-23-29(34)10-9-19(30-27(33)22-13-17-3-1-2-4-21(17)35-22)26-28(29,24(18)25(20)36-26)11-12-31(23)15-16-5-6-16;/h1-4,7-8,13,16,19,23,26,32,34H,5-6,9-12,14-15H2,(H,30,33);1H/t19-,23-,26+,28+,29-;/m1./s1
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0.230n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50118184
PNG
(CHEMBL3613163)
Show SMILES Cl.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)\C=C\c1ccoc1 |r,c:26|
Show InChI InChI=1S/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-;/m1./s1
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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)


Article DOI: 10.1016/j.bmc.2015.08.036
BindingDB Entry DOI: 10.7270/Q2V126M1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586133
PNG
(CHEMBL5076910)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1cccs1)ccc3O |r,THB:10:9:17:6.5.7|
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0.230n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50118182
PNG
(CHEMBL3613165)
Show SMILES CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)Cc1ccccc1 |r,c:42|
Show InChI InChI=1S/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-;/m1./s1
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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)


Article DOI: 10.1016/j.bmc.2015.08.036
BindingDB Entry DOI: 10.7270/Q2V126M1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (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 |r|
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


J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506207
PNG
(CHEMBL4466064)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1coc2ccccc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-35-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)36-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (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 |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
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)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506213
PNG
(CHEMBL4457013)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2ccoc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-6-5-18-14-23-29(34)9-7-20(30-27(33)19-4-3-17-8-12-35-22(17)13-19)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
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(O)=O |r|
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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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00301
BindingDB Entry DOI: 10.7270/Q2WD44CX
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(MOUSE-Mus musculus (Mouse))
BDBM50474629
PNG
(CHEMBL415006)
Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:65:64:88.68.67:83.81.82,84:83:64:88.68.67,73:88:64:83.81.82,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13|
Show InChI InChI=1S/C68H77N13O12/c69-64(76-38-11-12-43-40(25-38)42-27-68(91)48-24-36-9-13-45(82)60-55(36)65(68,62(92-60)58(42)78-43)17-21-81(48)33-35-7-8-35)71-20-2-19-70-51(86)28-74-52(87)29-72-49(84)15-16-50(85)73-30-53(88)75-31-54(89)77-44-4-1-3-39-41-26-67(90)47-23-37-10-14-46(83)61-56(37)66(67,18-22-80(47)32-34-5-6-34)63(93-61)59(41)79-57(39)44/h1,3-4,9-14,25,34-35,47-48,62-63,78-79,82-83,90-91H,2,5-8,15-24,26-33H2,(H,70,86)(H,72,84)(H,73,85)(H,74,87)(H,75,88)(H,77,89)(H3,69,71,76)/t47?,48?,62-,63-,65?,66?,67+,68+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor...


J Med Chem 47: 2969-72 (2004)


Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50574769
PNG
(CHEMBL4870603)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r|
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00301
BindingDB Entry DOI: 10.7270/Q2WD44CX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
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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0.310n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse KOR expressed in HEK293 cell membranes by radioligand binding assay relative to control


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00158
BindingDB Entry DOI: 10.7270/Q21G0R4N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586135
PNG
(CHEMBL5088056)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccsc1)ccc3O |r,THB:10:9:6.5.7:17|
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0.370n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (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 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
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)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50574769
PNG
(CHEMBL4870603)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r|
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00301
BindingDB Entry DOI: 10.7270/Q2WD44CX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50574769
PNG
(CHEMBL4870603)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r|
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Assay Description
Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00301
BindingDB Entry DOI: 10.7270/Q2WD44CX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50574769
PNG
(CHEMBL4870603)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r|
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TBA

Assay Description
Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.1c00301
BindingDB Entry DOI: 10.7270/Q2WD44CX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (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 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
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)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (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 |r|
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


J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586128
PNG
(CHEMBL5089829)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccoc1)ccc3O |r,THB:10:9:17:6.5.7|
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0.470n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50118183
PNG
(CHEMBL3613164)
Show SMILES Cl.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)CCc1ccccc1 |r,c:26|
Show InChI InChI=1S/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-;/m1./s1
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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)


Article DOI: 10.1016/j.bmc.2015.08.036
BindingDB Entry DOI: 10.7270/Q2V126M1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506210
PNG
(CHEMBL4455793)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1csc2ccccc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-36-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)35-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.480n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(MOUSE-Mus musculus (Mouse))
BDBM50474628
PNG
(CHEMBL386810)
Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:64:63:87.67.66:82.80.81,83:82:63:87.67.66,72:87:63:82.80.81,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13|
Show InChI InChI=1S/C67H75N13O12/c68-63(75-37-10-11-42-39(24-37)41-26-67(90)47-23-35-8-12-44(81)59-54(35)64(67,61(91-59)57(41)77-42)16-20-80(47)32-34-6-7-34)70-19-18-69-50(85)27-73-51(86)28-71-48(83)14-15-49(84)72-29-52(87)74-30-53(88)76-43-3-1-2-38-40-25-66(89)46-22-36-9-13-45(82)60-55(36)65(66,17-21-79(46)31-33-4-5-33)62(92-60)58(40)78-56(38)43/h1-3,8-13,24,33-34,46-47,61-62,77-78,81-82,89-90H,4-7,14-23,25-32H2,(H,69,85)(H,71,83)(H,72,84)(H,73,86)(H,74,87)(H,76,88)(H3,68,70,75)/t46?,47?,61-,62-,64?,65?,66+,67+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor...


J Med Chem 47: 2969-72 (2004)


Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (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 |r|
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


J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586109
PNG
(CHEMBL5088200)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1ccc[nH]1)ccc3O |r,THB:10:9:6.5.7:17|
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0.540n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50118190
PNG
(CHEMBL3613174)
Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)c1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r|
Show InChI InChI=1S/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-;/m1./s1
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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)


Article DOI: 10.1016/j.bmc.2015.08.036
BindingDB Entry DOI: 10.7270/Q2V126M1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586083
PNG
(CHEMBL5085703)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ncc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
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0.570n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to mouse kappa opioid receptor expressed in CHO cells in presence of U50488 incubated for 1.5 hrs by competitive radioligand binding...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02185
BindingDB Entry DOI: 10.7270/Q25Q510Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586115
PNG
(CHEMBL5092086)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cc[nH]c1)ccc3O |r,THB:10:9:6.5.7:17|
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0.590n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50066278
PNG
(CHEMBL2419120)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)c1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/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+/m0/s1
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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


Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586122
PNG
(CHEMBL5090637)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccco1)ccc3O |r,THB:10:9:17:6.5.7|
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0.610n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50066278
PNG
(CHEMBL2419120)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)c1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/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+/m0/s1
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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 kappa opioid receptor expressed in CHO cells after 1.5 hrs


Bioorg Med Chem Lett 23: 5045-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.043
BindingDB Entry DOI: 10.7270/Q2H41VC9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (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)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586136
PNG
(CHEMBL5070150)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1ccsc1)ccc3O |r,THB:10:9:17:6.5.7|
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0.650n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506231
PNG
(CHEMBL4575933)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2sccc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-7-6-17-14-23-29(34)10-8-20(30-27(33)19-2-1-3-22-18(19)9-13-36-22)26-28(29,24(17)25(21)35-26)11-12-31(23)15-16-4-5-16;/h1-3,6-7,9,13,16,20,23,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.75n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (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)


BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586127
PNG
(CHEMBL5091983)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1ccoc1)ccc3O |r,THB:10:9:17:6.5.7|
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0.780n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586130
PNG
(CHEMBL5075108)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccs1)ccc3O |r,THB:10:9:6.5.7:17|
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0.790n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
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