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Compile Data Set for Download or QSAR

Found 129 hits Enz. Inhib. hit(s) with all data for entry = 50006182   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045733
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...)
Show SMILES C[C@H]1CN(CCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045733
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...)
Show SMILES C[C@H]1CN(CCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by displacement of [3H]-NAL at 10 nM from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045742
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-3-yl-propyl)-piperid...)
Show SMILES C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-14-21(10-4-5-17-8-12-23-15-17)11-9-20(16,2)18-6-3-7-19(22)13-18/h3,6-8,12-13,15-16,22H,4-5,9-11,14H2,1-2H3/t16-,20+/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by displacement of [3H]-NAL at 10 nM from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045738
PNG
((3R,4R)3-(1-Hexyl-3,4-dimethyl-piperidin-4-yl)-phe...)
Show SMILES CCCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-4-5-6-7-12-20-13-11-19(3,16(2)15-20)17-9-8-10-18(21)14-17/h8-10,14,16,21H,4-7,11-13,15H2,1-3H3/t16-,19+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045748
PNG
(3-{1-[2-(3-Chloro-phenyl)-ethyl]-3,4-dimethyl-pipe...)
Show SMILES C[C@H]1CN(CCc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H26ClNO/c1-16-15-23(11-9-17-5-3-7-19(22)13-17)12-10-21(16,2)18-6-4-8-20(24)14-18/h3-8,13-14,16,24H,9-12,15H2,1-2H3/t16-,21+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045735
PNG
(3-[1-(3-Hydroxy-3-thiophen-2-yl-propyl)-3,4-dimeth...)
Show SMILES C[C@H]1CN(CCC(O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NO2S/c1-15-14-21(10-8-18(23)19-7-4-12-24-19)11-9-20(15,2)16-5-3-6-17(22)13-16/h3-7,12-13,15,18,22-23H,8-11,14H2,1-2H3/t15-,18?,20+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
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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0.560n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045770
PNG
(3-(1-Heptyl-3,4-dimethyl-piperidin-4-yl)-phenol | ...)
Show SMILES CCCCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H33NO/c1-4-5-6-7-8-13-21-14-12-20(3,17(2)16-21)18-10-9-11-19(22)15-18/h9-11,15,17,22H,4-8,12-14,16H2,1-3H3/t17-,20+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045773
PNG
(3-[3,4-Dimethyl-1-(3-o-tolyl-propyl)-piperidin-4-y...)
Show SMILES C[C@H]1CN(CCCc2ccccc2C)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C23H31NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-6,8-9,11-12,16,19,25H,7,10,13-15,17H2,1-3H3/t19-,23+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045758
PNG
(3-[3,4-Dimethyl-1-(3-phenyl-propyl)-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H29NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-6,8-9,11-12,16,18,24H,7,10,13-15,17H2,1-2H3/t18-,22+/m0/s1
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0.690n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045764
PNG
(3-{1-[3-(2-Methoxy-phenyl)-propyl]-3,4-dimethyl-pi...)
Show SMILES COc1ccccc1CCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31NO2/c1-18-17-24(14-7-9-19-8-4-5-12-22(19)26-3)15-13-23(18,2)20-10-6-11-21(25)16-20/h4-6,8,10-12,16,18,25H,7,9,13-15,17H2,1-3H3/t18-,23+/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045749
PNG
(3-[1-(3-Hydroxy-3-phenyl-propyl)-3,4-dimethyl-pipe...)
Show SMILES C[C@H]1CN(CCC(O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H29NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h3-10,15,17,21,24-25H,11-14,16H2,1-2H3/t17-,21?,22+/m0/s1
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0.960n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045756
PNG
(3-[3,4-Dimethyl-1-(3-phenoxy-propyl)-piperidin-4-y...)
Show SMILES C[C@H]1CN(CCCOc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H29NO2/c1-18-17-23(13-7-15-25-21-10-4-3-5-11-21)14-12-22(18,2)19-8-6-9-20(24)16-19/h3-6,8-11,16,18,24H,7,12-15,17H2,1-2H3/t18-,22+/m0/s1
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1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045769
PNG
(3-[3,4-Dimethyl-1-(2-naphthalen-1-yl-ethyl)-piperi...)
Show SMILES C[C@H]1CN(CCc2cccc3ccccc23)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H29NO/c1-19-18-26(16-14-25(19,2)22-10-6-11-23(27)17-22)15-13-21-9-5-8-20-7-3-4-12-24(20)21/h3-12,17,19,27H,13-16,18H2,1-2H3/t19-,25+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by displacement of [3H]-NAL at 10 nM from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045755
PNG
(3-[3,4-Dimethyl-1-(2-phenoxy-ethyl)-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCOc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H27NO2/c1-17-16-22(13-14-24-20-9-4-3-5-10-20)12-11-21(17,2)18-7-6-8-19(23)15-18/h3-10,15,17,23H,11-14,16H2,1-2H3/t17-,21+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045754
PNG
(3-[1-(3-Furan-2-yl-propyl)-3,4-dimethyl-piperidin-...)
Show SMILES C[C@H]1CN(CCCc2ccco2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NO2/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045767
PNG
((+)-N-phenethyl trans-3(R),4(R)-dimethyl-4-(3-hydr...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H27NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h3-10,15,17,23H,11-14,16H2,1-2H3/t17-,21+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045747
PNG
(3-[4-(3-Hydroxy-phenyl)-3,4-dimethyl-piperidin-1-y...)
Show SMILES C[C@H]1CN(CCC(=O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO2S/c1-15-14-21(10-8-18(23)19-7-4-12-24-19)11-9-20(15,2)16-5-3-6-17(22)13-16/h3-7,12-13,15,22H,8-11,14H2,1-2H3/t15-,20+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045743
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...)
Show SMILES C[C@@H]1CN(CCCc2cccs2)CC[C@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045737
PNG
(3-[3,4-Dimethyl-1-(4-phenyl-butyl)-piperidin-4-yl]...)
Show SMILES C[C@H]1CN(CCCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C23H31NO/c1-19-18-24(15-7-6-11-20-9-4-3-5-10-20)16-14-23(19,2)21-12-8-13-22(25)17-21/h3-5,8-10,12-13,17,19,25H,6-7,11,14-16,18H2,1-2H3/t19-,23+/m0/s1
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2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045750
PNG
(3-[3,4-Dimethyl-1-(3-m-tolyl-propyl)-piperidin-4-y...)
Show SMILES C[C@H]1CN(CCCc2cccc(C)c2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C23H31NO/c1-18-7-4-8-20(15-18)9-6-13-24-14-12-23(3,19(2)17-24)21-10-5-11-22(25)16-21/h4-5,7-8,10-11,15-16,19,25H,6,9,12-14,17H2,1-3H3/t19-,23+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045736
PNG
(3-{1-[2-(3-Fluoro-phenyl)-ethyl]-3,4-dimethyl-pipe...)
Show SMILES C[C@H]1CN(CCc2cccc(F)c2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H26FNO/c1-16-15-23(11-9-17-5-3-7-19(22)13-17)12-10-21(16,2)18-6-4-8-20(24)14-18/h3-8,13-14,16,24H,9-12,15H2,1-2H3/t16-,21+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by displacement of [3H]-NAL at 10 nM from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045733
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...)
Show SMILES C[C@H]1CN(CCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045733
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...)
Show SMILES C[C@H]1CN(CCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at 10 nM from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045771
PNG
(3-{1-[2-(2-Chloro-phenyl)-ethyl]-3,4-dimethyl-pipe...)
Show SMILES C[C@H]1CN(CCc2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H26ClNO/c1-16-15-23(12-10-17-6-3-4-9-20(17)22)13-11-21(16,2)18-7-5-8-19(24)14-18/h3-9,14,16,24H,10-13,15H2,1-2H3/t16-,21+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045741
PNG
(3-[4-(3-Hydroxy-phenyl)-3,4-dimethyl-piperidin-1-y...)
Show SMILES C[C@H]1CN(CCC(=O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H27NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h3-10,15,17,24H,11-14,16H2,1-2H3/t17-,22+/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045741
PNG
(3-[4-(3-Hydroxy-phenyl)-3,4-dimethyl-piperidin-1-y...)
Show SMILES C[C@H]1CN(CCC(=O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H27NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h3-10,15,17,24H,11-14,16H2,1-2H3/t17-,22+/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-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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3.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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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3.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045744
PNG
(3-(3,4-Dimethyl-1-pentyl-piperidin-4-yl)-phenol | ...)
Show SMILES CCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
Show InChI InChI=1S/C18H29NO/c1-4-5-6-11-19-12-10-18(3,15(2)14-19)16-8-7-9-17(20)13-16/h7-9,13,15,20H,4-6,10-12,14H2,1-3H3/t15-,18+/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045762
PNG
(3-[3,4-Dimethyl-1-(2-thiophen-2-yl-ethyl)-piperidi...)
Show SMILES C[C@H]1CN(CCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C19H25NOS/c1-15-14-20(10-8-18-7-4-12-22-18)11-9-19(15,2)16-5-3-6-17(21)13-16/h3-7,12-13,15,21H,8-11,14H2,1-2H3/t15-,19+/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045763
PNG
(3-(1-Furan-2-ylmethyl-3,4-dimethyl-piperidin-4-yl)...)
Show SMILES C[C@H]1CN(Cc2ccco2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C18H23NO2/c1-14-12-19(13-17-7-4-10-21-17)9-8-18(14,2)15-5-3-6-16(20)11-15/h3-7,10-11,14,20H,8-9,12-13H2,1-2H3/t14-,18+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045734
PNG
(3-[3,4-Dimethyl-1-(2-o-tolyl-ethyl)-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCc2ccccc2C)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H29NO/c1-17-7-4-5-8-19(17)11-13-23-14-12-22(3,18(2)16-23)20-9-6-10-21(24)15-20/h4-10,15,18,24H,11-14,16H2,1-3H3/t18-,22+/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045773
PNG
(3-[3,4-Dimethyl-1-(3-o-tolyl-propyl)-piperidin-4-y...)
Show SMILES C[C@H]1CN(CCCc2ccccc2C)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C23H31NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-6,8-9,11-12,16,19,25H,7,10,13-15,17H2,1-3H3/t19-,23+/m0/s1
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8.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045757
PNG
(3-[3,4-Dimethyl-1-(tetrahydro-furan-2-ylmethyl)-pi...)
Show SMILES C[C@H]1CN(CC2CCCO2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C18H27NO2/c1-14-12-19(13-17-7-4-10-21-17)9-8-18(14,2)15-5-3-6-16(20)11-15/h3,5-6,11,14,17,20H,4,7-10,12-13H2,1-2H3/t14-,17?,18+/m0/s1
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9.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at 10 nM from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045738
PNG
((3R,4R)3-(1-Hexyl-3,4-dimethyl-piperidin-4-yl)-phe...)
Show SMILES CCCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-4-5-6-7-12-20-13-11-19(3,16(2)15-20)17-9-8-10-18(21)14-17/h8-10,14,16,21H,4-7,11-13,15H2,1-3H3/t16-,19+/m0/s1
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9.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045742
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-3-yl-propyl)-piperid...)
Show SMILES C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-14-21(10-4-5-17-8-12-23-15-17)11-9-20(16,2)18-6-3-7-19(22)13-18/h3,6-8,12-13,15-16,22H,4-5,9-11,14H2,1-2H3/t16-,20+/m0/s1
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10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045735
PNG
(3-[1-(3-Hydroxy-3-thiophen-2-yl-propyl)-3,4-dimeth...)
Show SMILES C[C@H]1CN(CCC(O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NO2S/c1-15-14-21(10-8-18(23)19-7-4-12-24-19)11-9-20(15,2)16-5-3-6-17(22)13-16/h3-7,12-13,15,18,22-23H,8-11,14H2,1-2H3/t15-,18?,20+/m0/s1
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50456163
PNG
(CHEMBL2114297)
Show SMILES C[C@@H]1CN(CCC(=O)c2ccccc2)CC[C@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H27NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h3-10,15,17,24H,11-14,16H2,1-2H3/t17-,22+/m1/s1
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045743
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...)
Show SMILES C[C@@H]1CN(CCCc2cccs2)CC[C@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m1/s1
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045749
PNG
(3-[1-(3-Hydroxy-3-phenyl-propyl)-3,4-dimethyl-pipe...)
Show SMILES C[C@H]1CN(CCC(O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H29NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h3-10,15,17,21,24-25H,11-14,16H2,1-2H3/t17-,21?,22+/m0/s1
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045740
PNG
(3-[3,4-Dimethyl-1-(2-p-tolyl-ethyl)-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCc2ccc(C)cc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H29NO/c1-17-7-9-19(10-8-17)11-13-23-14-12-22(3,18(2)16-23)20-5-4-6-21(24)15-20/h4-10,15,18,24H,11-14,16H2,1-3H3/t18-,22+/m0/s1
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045754
PNG
(3-[1-(3-Furan-2-yl-propyl)-3,4-dimethyl-piperidin-...)
Show SMILES C[C@H]1CN(CCCc2ccco2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NO2/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m0/s1
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14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045758
PNG
(3-[3,4-Dimethyl-1-(3-phenyl-propyl)-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H29NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-6,8-9,11-12,16,18,24H,7,10,13-15,17H2,1-2H3/t18-,22+/m0/s1
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15n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045747
PNG
(3-[4-(3-Hydroxy-phenyl)-3,4-dimethyl-piperidin-1-y...)
Show SMILES C[C@H]1CN(CCC(=O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO2S/c1-15-14-21(10-8-18(23)19-7-4-12-24-19)11-9-20(15,2)16-5-3-6-17(22)13-16/h3-7,12-13,15,22H,8-11,14H2,1-2H3/t15-,20+/m0/s1
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15n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045765
PNG
(3-(1-Allyl-3,4-dimethyl-piperidin-4-yl)-phenol | C...)
Show SMILES C[C@H]1CN(CC=C)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-4-9-17-10-8-16(3,13(2)12-17)14-6-5-7-15(18)11-14/h4-7,11,13,18H,1,8-10,12H2,2-3H3/t13-,16+/m0/s1
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045768
PNG
(3-(1-Ethyl-3,4-dimethyl-piperidin-4-yl)-phenol | C...)
Show SMILES CCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-4-16-9-8-15(3,12(2)11-16)13-6-5-7-14(17)10-13/h5-7,10,12,17H,4,8-9,11H2,1-3H3/t12-,15+/m0/s1
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18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045752
PNG
(3-{1-[3-(3-Chloro-phenyl)-propyl]-3,4-dimethyl-pip...)
Show SMILES C[C@H]1CN(CCCc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H28ClNO/c1-17-16-24(12-5-7-18-6-3-9-20(23)14-18)13-11-22(17,2)19-8-4-10-21(25)15-19/h3-4,6,8-10,14-15,17,25H,5,7,11-13,16H2,1-2H3/t17-,22+/m0/s1
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19n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at 10 nM from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045759
PNG
(3-[3,4-Dimethyl-1-(4-thiophen-2-yl-butyl)-piperidi...)
Show SMILES C[C@H]1CN(CCCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H29NOS/c1-17-16-22(12-4-3-9-20-10-6-14-24-20)13-11-21(17,2)18-7-5-8-19(23)15-18/h5-8,10,14-15,17,23H,3-4,9,11-13,16H2,1-2H3/t17-,21+/m0/s1
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20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at 10 nM from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045745
PNG
(3-[3,4-Dimethyl-1-(2-pyridin-4-yl-ethyl)-piperidin...)
Show SMILES C[C@H]1CN(CCc2ccncc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H26N2O/c1-16-15-22(12-8-17-6-10-21-11-7-17)13-9-20(16,2)18-4-3-5-19(23)14-18/h3-7,10-11,14,16,23H,8-9,12-13,15H2,1-2H3/t16-,20+/m0/s1
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20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at 10 nM from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
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