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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for UniProtKB: P41144   
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/Mu-type opioid receptor


(Cavia porcellus (domestic guinea pig)-GUINEA PIG)		BDBM50142692
PNG
(CHEMBL3759092)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2|
Show InChI InChI=1S/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/m0/s1
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Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Department of Drug Sciences, Medicinal Chemistry Section, University of Catania, Viale A. Doria 6, 95125 Catania, Italy.

Curated by ChEMBL


Assay Description
Agonist activity at MOR/KOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of electrically induced contractions after 5 mins

Bioorg Med Chem 25: 4745-4752 (2017)


Article DOI: 10.1016/j.bmc.2017.07.021
BindingDB Entry DOI: 10.7270/Q2S46VG1
More data for this
Ligand-Target Pair
Kappa-type/Mu-type opioid receptor


(Cavia porcellus (domestic guinea pig)-GUINEA PIG)		BDBM50269634
PNG
(CHEMBL4079574)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2|
Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21+,22+/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



Department of Drug Sciences, Medicinal Chemistry Section, University of Catania, Viale A. Doria 6, 95125 Catania, Italy.

Curated by ChEMBL


Assay Description
Agonist activity at MOR/KOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of electrically induced contractions after 5 mins

Bioorg Med Chem 25: 4745-4752 (2017)


Article DOI: 10.1016/j.bmc.2017.07.021
BindingDB Entry DOI: 10.7270/Q2S46VG1
More data for this
Ligand-Target Pair
Kappa-type/Mu-type opioid receptor


(Cavia porcellus (domestic guinea pig)-GUINEA PIG)		BDBM50269637
PNG
(CHEMBL4102093)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(OC)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22?,23+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Department of Drug Sciences, Medicinal Chemistry Section, University of Catania, Viale A. Doria 6, 95125 Catania, Italy.

Curated by ChEMBL


Assay Description
Agonist activity at MOR/KOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of electrically induced contractions after 5 mins

Bioorg Med Chem 25: 4745-4752 (2017)


Article DOI: 10.1016/j.bmc.2017.07.021
BindingDB Entry DOI: 10.7270/Q2S46VG1
More data for this
Ligand-Target Pair
Kappa-type/Mu-type opioid receptor


(Cavia porcellus (domestic guinea pig)-GUINEA PIG)		BDBM50269638
PNG
(CHEMBL4066846)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2|
Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21-,22+/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Department of Drug Sciences, Medicinal Chemistry Section, University of Catania, Viale A. Doria 6, 95125 Catania, Italy.

Curated by ChEMBL


Assay Description
Agonist activity at MOR/KOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of electrically induced contractions after 5 mins

Bioorg Med Chem 25: 4745-4752 (2017)


Article DOI: 10.1016/j.bmc.2017.07.021
BindingDB Entry DOI: 10.7270/Q2S46VG1
More data for this
Ligand-Target Pair
Kappa-type/Mu-type opioid receptor


(Cavia porcellus (domestic guinea pig)-GUINEA PIG)		BDBM50269633
PNG
(CHEMBL4077833)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(C)(O)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-17-9-10-19(25)14-20(17)22(16,2)11-12-24(21)15-23(3,26)18-7-5-4-6-8-18/h4-10,14,16,21,25-26H,11-13,15H2,1-3H3/t16-,21+,22+,23?/m0/s1
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n/an/a 194n/an/an/an/an/an/a



Department of Drug Sciences, Medicinal Chemistry Section, University of Catania, Viale A. Doria 6, 95125 Catania, Italy.

Curated by ChEMBL


Assay Description
Agonist activity at MOR/KOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of electrically induced contractions after 5 mins

Bioorg Med Chem 25: 4745-4752 (2017)


Article DOI: 10.1016/j.bmc.2017.07.021
BindingDB Entry DOI: 10.7270/Q2S46VG1
More data for this
Ligand-Target Pair
Kappa-type/Mu-type opioid receptor


(Cavia porcellus (domestic guinea pig)-GUINEA PIG)		BDBM50493138
PNG
(CHEMBL3038186)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C40H44N6O6/c1-24-17-30(47)18-25(2)31(24)22-33(45-40(41)42)38(50)46-23-29-16-10-9-15-28(29)21-35(46)37(49)43-32(19-26-11-5-3-6-12-26)36(48)44-34(39(51)52)20-27-13-7-4-8-14-27/h3-18,32-35,47H,19-23H2,1-2H3,(H,43,49)(H,44,48)(H,51,52)(H4,41,42,45)/t32-,33-,34-,35-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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

Bioorg Med Chem Lett 23: 5082-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.036
BindingDB Entry DOI: 10.7270/Q2RN3BSK
More data for this
Ligand-Target Pair